SCHEMBL4198013

SCHEMBL4198013

N#CCC1C=CN=C(OCc2ccc(CN3CCNCC3)cc2)N1c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HIF1A Q16665 2/20 0.35
CXCR4 P61073 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL4197321 0.93 RAB9A (0.49) MEN1KMT2ARAB9ANPC1MAPK8
SCHEMBL4200032 0.92 LTA4H (0.45) MEN1KMT2ARAB9ANPC1MAPK8
SCHEMBL4190537 0.90 MAPK8 (0.49) MEN1KMT2ARAB9ANPC1MAPK8
SCHEMBL4192557 0.90 RAB9A (0.44) MEN1KMT2ARAB9ANPC1MAPK8
SCHEMBL4190547 0.86 MAPK9 (0.39) MEN1KMT2ARAB9ANPC1MAPK9
SCHEMBL5613986 0.86 RAB9A (0.38) MEN1KMT2ARAB9ANPC1MAPK8
SCHEMBL4203404 0.84 PTGS1 (0.36) MEN1KMT2ARAB9ANPC1MAPK8
SCHEMBL5614066 0.83 MAPK8 (0.42) MEN1KMT2ARAB9ANPC1MAPK8
SCHEMBL7707443 0.83 RAB9A (0.44) MEN1KMT2ARAB9ANPC1MAPK9
SCHEMBL4197491 0.83 CYP2D6 (0.38) MEN1KMT2ARAB9ANPC1MAPK8

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
JP-2007505083-A 2007-03-08 JP claimed
EP-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP claimed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
EP-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed