SCHEMBL9753399

SCHEMBL9753399

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
PPARA Q07869 1/20 0.39
GCGR P47871 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DHODH Q02127 3/20 0.37
DHFR P00374 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
HMGCR P04035 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
BLM P54132 1/20 0.36
NCOA1 Q15788 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL27346853 0.87 PPARA (0.41) FABP3FABP4FABP5PPARAGCGR
SCHEMBL9753393 0.84 HMGCR (0.38) GCGRMEN1KMT2AHMGCRALDH1A1
SCHEMBL9753368 0.84 GCGR (0.51) GCGR
SCHEMBL9753234 0.76 HMGCR (0.47) HMGCR
SCHEMBL9753235 0.76 HMGCR (0.47) HMGCR
SCHEMBL9753242 0.76 HMGCR (0.57) HMGCR
SCHEMBL9753066 0.75 DGAT1 (0.46) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL9753077 0.74 ALDH1A1 (0.44) GCGRMEN1KMT2AKDM4EALDH1A1
SCHEMBL27351229 0.72 MAPK14 (0.41) FABP3FABP4FABP5PPARAGCGR
SCHEMBL27389552 0.72 GCGR (0.38) FABP3FABP4FABP5PPARAGCGR

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