SCHEMBL5147265

SCHEMBL5147265

O=C(Nc1ccc2cn[nH]c2c1)c1cc([N+](=O)[O-])c([AsH2])cc1-n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
MAP4K4 O95819 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CFTR P13569 1/20 0.42
FLT1 P17948 1/20 0.42
HSD17B10 Q99714 3/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL2933104 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2932035 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL14022343 0.75 RAB9A (0.67) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2927267 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2926050 0.72 ATR (0.49) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2927215 0.72 HPGD (0.55) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2932659 0.72 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2931009 0.71 TRPV1 (0.47) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2927844 0.70 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDMAP4K4
SCHEMBL2924638 0.70 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO disclosed