SCHEMBL9753393

SCHEMBL9753393

Cc1cc(-c2ccccc2)c2c(-c3ccc(F)cc3)c(C=O)c(C(C)C)nn12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.38
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GCGR P47871 6/20 0.36
STAT1 P42224 1/20 0.35
PTGS2 P35354 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL9753207 0.86 ALDH1A1 (0.40) HMGCRALDH1A1GCGRPTGS2
SCHEMBL9753399 0.84 FABP3 (0.41) HMGCRMEN1CASP3BLMKMT2A
SCHEMBL9752959 0.83 POLB (0.38) HMGCRMEN1KMT2AALDH1A1STAT1
SCHEMBL9753368 0.83 GCGR (0.51) GCGR
SCHEMBL9753242 0.81 HMGCR (0.57) HMGCRPTGS2
SCHEMBL9753234 0.81 HMGCR (0.47) HMGCR
SCHEMBL9753235 0.81 HMGCR (0.47) HMGCR
SCHEMBL9753118 0.78 HMGCR (0.67) HMGCR
SCHEMBL9753117 0.78 HMGCR (0.67) HMGCR
SCHEMBL9752903 0.77 MAPK14 (0.43) HMGCRALDH1A1GCGRPTGS2AR

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