SCHEMBL6203082

SCHEMBL6203082

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPK1 P28482 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
FAAH O00519 2/20 0.50
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 3/20 0.48

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
SCHEMBL6203041 0.87 FAAH (0.50) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6203549 0.79 SMN1; SMN2 (0.52) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6202061 0.79 FAAH (0.58) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6203431 0.76 GAA (0.60) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6085715 0.75 MAPT (0.49) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6203914 0.74 KDM4E (0.52) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6201149 0.74 GAA (0.54) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6200946 0.74 PKM (0.54) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31631308 0.72 KDM4E (1.00) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6204336 0.72 RAB9A (0.55) HSD17B10KDM4EALDH1A1HPGDSMN1; 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 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