SCHEMBL4199975

SCHEMBL4199975

N#CCC1C=CN=C(N2CCCC2)N1c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
DPP4 P27487 2/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4197211 0.91 SCN4A (0.38) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4198007 0.91 RAB9A (0.42) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197998 0.91 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4195517 0.90 DPP4 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4199997 0.89 HTR1A (0.42) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197930 0.87 RAB9A (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4195581 0.87 USP2 (0.52) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4197293 0.85 SORD (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4194844 0.85 RAB9A (0.39) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL6017501 0.84 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
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
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