SCHEMBL4193399

SCHEMBL4193399

N#CCC1C=CN=C(NCCc2ccccn2)N1c1nc2ccccc2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HIF1A Q16665 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 1/20 0.32
ACP1 P24666 1/20 0.32
OGA O60502 1/20 0.32
APP P05067 2/20 0.32

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
SCHEMBL4192495 0.91 KDM4E (0.35) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL4192472 0.87 NPC1 (0.46) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4192273 0.85 MAPK9 (0.39) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4187924 0.85 RAB9A (0.36) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL1005758 0.84 MAPK8 (0.46) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4190281 0.84 ALDH1A1 (0.40) CYP1A2ALDH1A1NPC1RAB9AMEN1
SCHEMBL7704544 0.84 ILK (0.41) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4185618 0.84 KMT2A (0.42) CYP1A2ALDH1A1NPC1RAB9AHPGD
SCHEMBL4190183 0.84 MAPT (0.40) CYP1A2ALDH1A1KDM4EHSD17B10NPC1
SCHEMBL4192264 0.84 LMNA (0.40) CYP1A2ALDH1A1NPC1RAB9AHPGD

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