SCHEMBL31662519

SCHEMBL31662519

COC(=O)c1cc(Oc2ccc(O)cc2)c2c(cnn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
USP2 O75604 1/20 0.40
NPBWR1 P48145 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
PTPN11 Q06124 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
APEX1 P27695 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
SCHEMBL31662290 0.89 USP2 (0.39) USP2NPBWR1ALDH1A1KMT2AKDM4E
SCHEMBL31662294 0.88 HAO1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL31662580 0.87 PARP10 (0.46) ALDH1A1KMT2ASCN9A
SCHEMBL31662404 0.85 SCN9A (0.40) CA12CA1CA2CA7CA9
SCHEMBL31662347 0.85 LMNA (0.38) CA12CA1CA2CA7CA9
SCHEMBL31662262 0.85 LMNA (0.46) USP2KMT2AMEN1LMNAMAPT
SCHEMBL31662315 0.85 MAPT (0.41) USP2NPBWR1ALDH1A1KMT2AKDM4E
SCHEMBL31662527 0.85 MAPT (0.41) USP2NPBWR1ALDH1A1KMT2AKDM4E
SCHEMBL31662433 0.84 GLA (0.38) CA12CA1CA2CA7CA9
SCHEMBL31662084 0.84 MAOB (0.36) CA12CA1CA2CA7CA9

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed