SCHEMBL31497923

SCHEMBL31497923

N#Cc1cc(F)cc(Oc2ccc(C#N)c3c2C(F)(F)C3O)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 14/20 0.58
▸ VEGFA P15692 11/20 0.58
▸ CYP2C9 P11712 1/20 0.53
▸ ARNT P27540 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL31497915 0.81 VEGFA (0.54) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL24127981 0.76 EPAS1 (0.64) EPAS1VEGFA
SCHEMBL30241858 0.76 EPAS1 (0.64) EPAS1VEGFA
SCHEMBL18036864 0.74 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL16560813 0.74 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL31497877 0.74 VEGFA (0.45) EPAS1VEGFA
SCHEMBL19865263 0.73 VEGFA (0.74) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL21005090 0.73 EPAS1 (0.70) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL21857908 0.73 VEGFA (0.56) EPAS1VEGFA
SCHEMBL21857910 0.73 VEGFA (0.56) EPAS1VEGFA

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-2025031396-A1 SUBSTITUTED BENZOCYCLOBUTENE COMPOUND AND USES THEREOF IN THE FIELD OF MEDICINE 杭州安道药业有限公司 2025-02-13 — — WO disclosed
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