SCHEMBL4197211

SCHEMBL4197211

N#CCC1C=CN=C(N2CCNCC2)N1c1nc2ccccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.38
SCN9A Q15858 1/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.38
ILK Q13418 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL4199975 0.91 NPC1 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4198007 0.88 RAB9A (0.42) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197998 0.88 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4195517 0.87 DPP4 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4199997 0.87 HTR1A (0.42) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4195581 0.84 USP2 (0.52) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197930 0.84 RAB9A (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197293 0.83 SORD (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4194844 0.83 RAB9A (0.39) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL6017501 0.81 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed