SCHEMBL5101418

SCHEMBL5101418

O=C(Oc1ccccc1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.82
RAB9A P51151 3/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
KDM4E B2RXH2 1/20 0.82
NPC1 O15118 1/20 0.82
MEN1 O00255 3/20 0.77
CASP3 P42574 1/20 0.77
SENP7 Q9BQF6 1/20 0.77
EPHX1 P07099 2/20 0.75
HSD17B10 Q99714 1/20 0.75
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
TSHR P16473 1/20 0.64
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5649217 0.94 HSD17B10 (0.81) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL30425509 0.92 KMT2A (0.71) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL5649640 0.90 KMT2A (1.00) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL11882343 0.87 MGLL (0.72) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL4197062 0.86 EPHX1 (1.00) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL5653626 0.86 KMT2A (0.72) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL7380436 0.84 CYP1A2 (0.69) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL5648270 0.84 KMT2A (0.68) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL1578826 0.83 ALDH1A1 (0.78) KMT2ARAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL3077817 0.83 SMN1; SMN2 (0.72) KMT2ARAB9ASMN1; SMN2KDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898234-A Preparation method of landiolol hydrochloride intermediate 天津泰普制药有限公司 2021-06-04 CN claimed
EP-3986899-A1 PYRAZOLOPYRIMIDINE ARYL ETHER INHIBITORS OF JAK KINASES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
CN-112898234-A Preparation method of landiolol hydrochloride intermediate 天津泰普制药有限公司 2021-06-04 CN disclosed
CN-111088496-A Microcapsule for gas-phase anti-rust film 刘振国 2020-05-01 CN disclosed
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
CN-106456649-A Compounds for improving cognition and social behavior in humans having neurological disorders 莱兰斯坦福初级大学评议会 2017-02-22 CN disclosed
EP-0677524-A1 Thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine derivatives as PAF antagonists Eisai Co., Ltd. (JP) 1995-10-18 EP disclosed
US-5438045-A An 3-acetyl-6-phenyl-2,3,4,5-tetrahydro-8h-pyrido(4'3':4,5)-thieno(3,2 -f)(1,2,4)triazolo(4,3-a)(1,4)diazepine derivative; antiallergens; asthma; antiplatelet activating factor activity EISAI CO., LTD. (JP) 1995-08-01 US disclosed
US-5409909-A Antiallergens EISAI CO., LTD. (JP) 1995-04-25 US disclosed
US-5382579-A Platelet activating factor antagonists; antiallergens; asthma EISAI CO., LTD. (JP) 1995-01-17 US disclosed
EP-0606103-A1 Thieno 3.2-f 1,2,4 triazolo 4,3-a 1,4 -diazepine derivatives as PAF antagonists Eisai Co., Ltd. (JP) 1994-07-13 EP disclosed
US-5304553-A Antiallergens; platelet activating factor inhibitor EISAI CO., LTD. (JP) 1994-04-19 US disclosed
US-5221671-A Antiallergens, bronchodilator agents EISAI CO., LTD. (JP) 1993-06-22 US disclosed
EP-0367110-A1 1,4-diazepine derivative and its pharmaceutical use Eisai Co., Ltd. (JP) 1990-05-09 EP disclosed
US-4172150-A CARDIOSELECTIVE ADRENERGIC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-10-23 US disclosed
US-4143140-A CARDIO-SELECTIVE B-ADRENERGIC STIMULANT; 1-HYDROXYPHENOXY-3-UREIDOETHYLAMINO-2-PROPANOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed