SCHEMBL6203041

SCHEMBL6203041

C=CCC(C)(C)C(=O)Nc1cccc(-c2n[nH]cc2-c2nc3ncccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.50
HSD17B10 Q99714 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL6203082 0.87 HSD17B10 (0.56) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6203549 0.79 SMN1; SMN2 (0.52) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6202061 0.79 FAAH (0.58) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6203431 0.76 GAA (0.60) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6085080 0.75 MAPT (0.49) HSD17B10KDM4EHPGDNPSR1SMN1; SMN2
SCHEMBL6201149 0.74 GAA (0.54) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6203914 0.74 KDM4E (0.52) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6200946 0.74 PKM (0.54) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6200627 0.71 HSD17B10 (0.48) FAAHHSD17B10KDM4EHPGDGAA
SCHEMBL6203580 0.70 HSD17B10 (0.48) FAAHHSD17B10KDM4EHPGDGAA

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