SCHEMBL31145064

SCHEMBL31145064

[2H]c1ccc2c(c1)-c1oc3c(Br)cc(C)cc3c(=O)c1CC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.34
▸ RAB9A P51151 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL30940300 0.81 SRD5A1 (0.34) MAOBESR1ESR2CDK1CDK2
SCHEMBL31145023 0.74 RAB9A (0.40) RAB9A
SCHEMBL31284722 0.73 CES1 (0.38) MAOBRAB9A
SCHEMBL31145015 0.71 MAOB (0.38) MAOBRAB9AESR1ESR2CDK1
SCHEMBL30940294 0.67 PIK3CA (0.37) CDK2
SCHEMBL31284512 0.67 MAPKAPK2 (0.33) —
SCHEMBL24912965 0.66 ALDH1A1 (0.50) MAOBRAB9AESR1ESR2CDK2
SCHEMBL30940312 0.65 DHODH (0.34) RAB9ACDK2
SCHEMBL30940290 0.65 PIK3CA (0.39) CDK2
SCHEMBL25185329 0.64 MAOB (0.37) MAOBESR1ESR2

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
CN-118791498-A Tetracyclic compound, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-10-18 — — CN disclosed
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