SCHEMBL6981710

SCHEMBL6981710

O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACHE P22303 2/20 0.52
HPGD P15428 3/20 0.50
MASP2 O00187 1/20 0.50
F2 P00734 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MAPK1 P28482 2/20 0.48
MAPK3 P27361 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK14 Q16539 1/20 0.47
IMPDH2 P12268 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL19260062 0.92 RAB9A (0.52) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL27370813 0.88 KDM4E (0.54) KDM4EMAPTSMN1; SMN2ACHEMASP2
SCHEMBL5773625 0.81 GAA (0.52) SMN1; SMN2HSD17B10MAPK1MAPK3ALDH1A1
SCHEMBL2901231 0.81 EPHX2 (0.53) KDM4EMAPTROCK2ROCK1
SCHEMBL2036464 0.79 HPGD (0.69) KDM4EMAPTRAB9ANPC1HPGD
SCHEMBL13218656 0.78 ROCK2 (0.53) KDM4EMAPTHDAC2HDAC6ROCK2
SCHEMBL3026165 0.78 EPHX2 (0.54) KDM4EMAPTMAPK1ROCK2ROCK1
SCHEMBL22397642 0.78 PPID (0.56) KDM4EMAPTACHEMASP2F2
SCHEMBL16585812 0.78 MAPT (0.60) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30955004 0.78 MAPT (0.60) KDM4EMAPTRAB9ANPC1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024006956-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 WO disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed