SCHEMBL31662084

SCHEMBL31662084

COC(=O)c1cc(Oc2ccc(O)cc2F)c2c(cnn2C)c1.COC(=O)c1cc(Oc2ccc(O)cc2F)c2c(cnn2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP3A4 P08684 2/20 0.35
PTPN11 Q06124 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
BRD4 O60885 1/20 0.35
USP2 O75604 1/20 0.34
MAOA P21397 1/20 0.34
CACNA1H O95180 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 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
SCHEMBL31662288 0.88 AR (0.40) MAOBBRD4MAOA
SCHEMBL31662433 0.87 GLA (0.38) MAOBKDM4ECYP3A4CA12CA1
SCHEMBL31662519 0.84 CA12 (0.41) KDM4ECYP3A4PTPN11CA12CA1
SCHEMBL31662347 0.82 LMNA (0.38) MAOBKDM4EPOLBCYP11B1CYP11B2
SCHEMBL31662618 0.78 CACNA1H (0.41) MAOBCA12CA1CA2CA7
SCHEMBL31662290 0.76 USP2 (0.39) KDM4EPTPN11USP2LMNAHTR2A
SCHEMBL31662404 0.75 SCN9A (0.40) MAOBKDM4EPTPN11CA12CA1
SCHEMBL29046616 0.74 KDM4E (0.50) KDM4EPOLBCYP11B1CYP11B2PTPN11
SCHEMBL31662262 0.73 LMNA (0.46) MAOBPOLBUSP2LMNACYP2C19
SCHEMBL31662294 0.72 HAO1 (0.39) KDM4ECA12CA1CA2CA7

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