SCHEMBL6694405

SCHEMBL6694405

Cc1ccc2nc(-c3c[nH]nc3-c3ccc(N(C(=O)c4ccccc4)C(=O)c4ccc(Cl)cc4)cc3)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
MAPT P10636 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 4/20 0.42
AGPAT2 O15120 2/20 0.41
CETP P11597 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
TTR P02766 1/20 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
SCHEMBL6692684 0.84 AGPAT2 (0.41) SMN1; SMN2MAPTNPC1RAB9AAGPAT2
SCHEMBL6085369 0.79 MAPT (0.48) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6670101 0.78 NPC1 (0.42) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6690576 0.77 NPC1 (0.41) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6085746 0.75 AGPAT2 (0.53) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6701305 0.74 NPC1 (0.42) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6085394 0.74 MAPT (0.58) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6689396 0.73 NPC1 (0.41) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL6085354 0.73 MAPT (0.51) SMN1; SMN2MAPTTP53AGPAT2CETP
SCHEMBL6085727 0.72 TP53 (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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