SCHEMBL21857738

SCHEMBL21857738

Cc1ccc(-c2ccc(C(=O)O)c(N)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.67
MCL1 Q07820 2/20 0.61
KDM4E B2RXH2 4/20 0.55
KMT2A Q03164 2/20 0.55
GFER P55789 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DHODH Q02127 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
HNF4A P41235 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
MAP4K4 O95819 1/20 0.44

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
SCHEMBL23499274 0.90 PPM1B (0.79) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL29908977 0.90 PPM1B (0.79) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL29436316 0.88 PPM1B (0.75) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL710309 0.88 PPM1B (0.75) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL8898237 0.85 KMT2A (0.78) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL30456877 0.85 PPM1B (0.71) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL2575452 0.85 PPM1B (0.71) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL283554 0.84 CSNK2A1 (0.55) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL17177763 0.84 PPM1B (0.70) PPM1BMCL1KDM4EKMT2AGFER
SCHEMBL29442128 0.84 CSNK2A1 (0.55) PPM1BMCL1KDM4EKMT2AGFER

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-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed