SCHEMBL6686207

SCHEMBL6686207

Cc1ccc2nc(-c3c[nH]nc3-c3ccc(CNC(=O)C4CC4)cc3)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
LMNA P02545 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.42
CETP P11597 1/20 0.42
BAZ1A Q9NRL2 1/20 0.41
AGPAT2 O15120 1/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL6670100 0.83 NPC1 (0.47) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6688484 0.82 CEPT1 (0.44) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL6670101 0.79 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6690576 0.78 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6085861 0.78 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6085641 0.78 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6689396 0.78 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6085906 0.78 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6701305 0.77 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL6083980 0.77 NAMPT (0.55) NAMPTNPC1RAB9AMAPTSMN1; SMN2

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-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO disclosed