SCHEMBL9753395

SCHEMBL9753395

CC(C)c1c(C(=O)O)c(-c2ccc(F)cc2)nn2c(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.36
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
PTGER1 P34995 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
LDHA P00338 2/20 0.31
LDHB P07195 2/20 0.31
KCNH2 Q12809 1/20 0.30
CSNK1D P48730 2/20 0.30
MAPK14 Q16539 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CSNK1E P49674 1/20 0.30

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
SCHEMBL9753039 0.86 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL9753328 0.85 PTGS1 (0.32) PTGS1PTGS2CSNK1DCSNK1E
SCHEMBL9753366 0.83 GABBR2 (0.34) PTGS1PTGS2
SCHEMBL9753358 0.83 GABBR2 (0.34) PTGS1PTGS2
SCHEMBL27349905 0.76 PTGER1 (0.38) DHODHPTGER1KDM4EALDH1A1HSD17B10
SCHEMBL9753357 0.74 PTGER1 (0.36) DHODHPTGER1PTGS1PTGS2KDM4E
SCHEMBL9753363 0.72 DHODH (0.38) DHODHPTGER1PTGS2KDM4EALDH1A1
SCHEMBL9752927 0.72 PTGER1 (0.41) DHODHPTGER1KDM4EALDH1A1
SCHEMBL9752984 0.68 ALDH1A1 (0.41) PTGS2KDM4EALDH1A1HSD17B10
SCHEMBL27352605 0.67 KDM4E (0.38) DHODHPTGS2KDM4EALDH1A1HSD17B10

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed