SCHEMBL9753357

SCHEMBL9753357

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.36
CSNK1D P48730 2/20 0.36
CSNK1E P49674 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
DHODH Q02127 5/20 0.34
PTGS2 P35354 3/20 0.33
HMGCR P04035 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNK3 O14649 1/20 0.33
MAPK14 Q16539 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL27349905 0.88 PTGER1 (0.38) PTGER1CSNK1DCSNK1EKDM4EALDH1A1
SCHEMBL9753107 0.85 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10PTGS2KMT2A
SCHEMBL9752927 0.84 PTGER1 (0.41) PTGER1KDM4EALDH1A1DHODHHMGCR
SCHEMBL9753363 0.84 DHODH (0.38) PTGER1CSNK1DCSNK1EKDM4EALDH1A1
SCHEMBL9753031 0.80 PPP1CA (0.37) CSNK1DCSNK1EKDM4EKDM5BDHODH
SCHEMBL9753119 0.80 PTGS2 (0.36) ALDH1A1KDM5BPTGS2KMT2AKCNK3
SCHEMBL9752952 0.80 GCGR (0.39) CSNK1DCSNK1EKDM5BPTGS2PTGS1
SCHEMBL27389552 0.79 GCGR (0.38) KDM4EALDH1A1HSD17B10RXFP1APOBEC3G
SCHEMBL9752965 0.77 MAPK14 (0.43) PTGER1ALDH1A1KDM5BDHODHPTGS2
SCHEMBL9753463 0.76 PTGS2 (0.34) KDM5BPTGS2KCNK3MAPK14PTGS1

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed