SCHEMBL6202643

SCHEMBL6202643

O=C(C1=CC=CCC1=S)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2n[nH]cc2-c2nc3ccccc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
MAPT P10636 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HSD17B10 Q99714 6/20 0.44
TP53 P04637 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 4/20 0.44
AGPAT2 O15120 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
CEPT1 Q9Y6K0 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
STAT3 P40763 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL6200981 0.90 NPC1 (0.38) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6085140 0.82 MAPT (0.47) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6085147 0.82 MAPT (0.47) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6085642 0.81 MAPT (0.55) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6085323 0.79 MAPT (0.55) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6202021 0.77 HPGD (0.33) MAPTNPC1SMN1; SMN2HSD17B10TP53
SCHEMBL6086476 0.75 RAB9A (0.70) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6085669 0.75 MAPT (0.47) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6086996 0.74 ALDH1A1 (0.44) RAB9AMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL6086993 0.74 ALDH1A1 (0.44) RAB9AMAPTNPC1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed