SCHEMBL6670100

SCHEMBL6670100

Cc1ccc2nc(-c3c[nH]nc3-c3ccc(-c4ccccc4NC(=O)C4CC4)cc3)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CETP P11597 1/20 0.43
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
AGPAT2 O15120 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 4/20 0.39
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38

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
SCHEMBL6686207 0.83 NAMPT (0.48) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6085861 0.82 NPC1 (0.52) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6085641 0.82 NPC1 (0.52) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6084633 0.81 CETP (0.46) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6670101 0.80 NPC1 (0.42) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6085049 0.80 CETP (0.50) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6084581 0.78 MAPT (0.54) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6085303 0.78 MAPT (0.50) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6690576 0.78 NPC1 (0.41) NPC1RAB9ACETPMAPTSMN1; SMN2
SCHEMBL6086213 0.78 RAB9A (0.52) NPC1RAB9ACETPMAPTSMN1; 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