SCHEMBL224647

SCHEMBL224647

O=[C]c1cc2ccccc2nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 2/20 0.44
ACHE P22303 1/20 0.44
NQO2 P16083 1/20 0.38
GPR3 P46089 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MGAM O43451 1/20 0.35
PDPK1 O15530 1/20 0.34
HTR3A P46098 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
STAT3 P40763 1/20 0.34
IKBKB O14920 1/20 0.34
PDE2A O00408 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL2014397 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL6008548 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL1998971 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL241706 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL276035 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL4634220 0.71 KDM4E (0.59) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL5483645 0.70 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL31115164 0.70 ALDH1A1 (0.55) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL194312 0.70 GRM5 (0.53) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL30248459 0.69 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941998-B1 3,6-ketal macrolide antibiotics PFIZER PROD INC (US) 2004-09-01 EP claimed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US claimed
EP-0941998-A2 3,6-ketal and enol ether macrolide antibiotics Pfizer Products Inc. (US) 1999-09-15 EP claimed
US-5322842-A Tricyclic benzodiazepine derivates, their preparation, and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-21 US claimed
EP-0544909-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP claimed
WO-1992003438-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-05 WO claimed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 WO disclosed
CN-115089586-A Compounds as nuclear transport modulators and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-09-23 CN disclosed
CN-112566902-B Compounds as nuclear transport modulators and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-06-17 CN disclosed
CN-112566902-A Compounds as nuclear transport modulators and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-03-26 CN disclosed
CN-111770914-A Compounds as neurokinin-1 receptor antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2020-10-13 CN disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US disclosed
EP-0941998-A2 3,6-ketal and enol ether macrolide antibiotics Pfizer Products Inc. (US) 1999-09-15 EP disclosed
US-5322842-A Tricyclic benzodiazepine derivates, their preparation, and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-21 US disclosed
EP-0544909-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed
WO-1992003438-A1 TRICYCLIC BENZODIAZEPINE DERIVATES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-05 WO disclosed