SCHEMBL31662433

SCHEMBL31662433

COC(=O)c1cc(Oc2ccc(O)cc2Cl)c2c(cnn2C)c1.COC(=O)c1cc(Oc2ccc(O)cc2Cl)c2c(cnn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ACHE P22303 1/20 0.36
TTR P02766 1/20 0.36
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPBWR1 P48145 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
USP2 O75604 1/20 0.34
PDE4D Q08499 1/20 0.34
SCN9A Q15858 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
SCHEMBL31662084 0.87 MAOB (0.36) MAOAMAOBCYP3A4KDM4ECA12
SCHEMBL31662519 0.84 CA12 (0.41) KMT2ACYP3A4KDM4EALDH1A1NPBWR1
SCHEMBL31662404 0.82 SCN9A (0.40) GLAKMT2AMAOAMAOBACHE
SCHEMBL31662290 0.76 USP2 (0.39) KMT2AKDM4EALDH1A1NPBWR1USP2
SCHEMBL31662347 0.75 LMNA (0.38) KMT2AMAOAMAOBCYP3A4KDM4E
SCHEMBL31662288 0.75 AR (0.40) MAOAMAOBSCN9A
SCHEMBL31662527 0.74 MAPT (0.41) KMT2ACYP3A4KDM4EALDH1A1NPBWR1
SCHEMBL29046616 0.74 KDM4E (0.50) KMT2AKDM4EALDH1A1CA12CA1
SCHEMBL24408046 0.74 KMT2A (0.46) GLAKMT2ATTRCYP3A4ALDH1A1
SCHEMBL31662315 0.72 MAPT (0.41) KMT2AKDM4EALDH1A1NPBWR1USP2

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