SCHEMBL5133489

SCHEMBL5133489

CCN(CCO)c1c(N)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAP4K4 O95819 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CFTR P13569 1/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 1/20 0.40
NOS1 P29475 1/20 0.40
HSD17B10 Q99714 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL2928262 0.83 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2927679 0.78 NPC1 (0.47) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2932783 0.75 HPGD (0.54) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7260307 0.74 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2924638 0.72 NPC1 (0.49) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5133488 0.71 MAPT (0.46) HPGDSMN1; SMN2LMNAKDM4ECYP3A4
SCHEMBL2932300 0.71 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2927267 0.71 NPC1 (0.61) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2934550 0.71 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2924973 0.70 MAP4K4 (0.60) HPGDNPC1RAB9ASMN1; SMN2LMNA

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