SCHEMBL31662404

SCHEMBL31662404

COC(=O)c1cc(Oc2ccc(O)c(Cl)c2)c2c(cnn2C)c1.COC(=O)c1cc(Oc2ccc(O)c(Cl)c2)c2c(cnn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
NPBWR1 P48145 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
APEX1 P27695 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
PTPN11 Q06124 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL31662347 0.87 LMNA (0.38) SCN9AKMT2AALDH1A1MEN1LMNA
SCHEMBL31662519 0.85 CA12 (0.41) SCN9ANPBWR1KMT2AALDH1A1MEN1
SCHEMBL31662290 0.82 USP2 (0.39) SCN9ANPBWR1KMT2AALDH1A1LMNA
SCHEMBL31662433 0.82 GLA (0.38) SCN9ANPBWR1KMT2AALDH1A1KDM4E
SCHEMBL31662527 0.80 MAPT (0.41) SCN9ANPBWR1KMT2AALDH1A1MEN1
SCHEMBL31662315 0.78 MAPT (0.41) SCN9ANPBWR1KMT2AALDH1A1MEN1
SCHEMBL31662593 0.77 PPARG (0.40) SCN9ANPBWR1CA12CA1CA2
SCHEMBL31662262 0.76 LMNA (0.46) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL29046616 0.76 KDM4E (0.50) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL31662084 0.75 MAOB (0.36) LMNAKDM4EMAPTPTPN11TDP1

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