SCHEMBL30967802

SCHEMBL30967802

N#Cc1cccc(Oc2ccc3[nH]ccc3c2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 7/20 0.49
▸ RHEB Q15382 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ ERBB3 P21860 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ AR P10275 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ VEGFA P15692 2/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ DHPS P49366 1/20 0.37

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
SCHEMBL29237661 1.00 EPAS1 (0.49) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL30967840 0.82 PRKCQ (0.47) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL27275422 0.82 EPAS1 (0.49) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL27275421 0.82 PRKCQ (0.47) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL29336676 0.80 BRD4 (0.45) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL29337971 0.80 BRD4 (0.46) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL30967796 0.80 BRD4 (0.44) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL30938228 0.80 F10 (0.46) RHEB
SCHEMBL29237564 0.80 BRD4 (0.44) EPAS1RHEBBRD4EGFRERBB2
SCHEMBL30967931 0.80 BRD4 (0.46) EPAS1RHEBBRD4EGFRERBB2

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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