SCHEMBL25329415

SCHEMBL25329415

COc1cc(N2CCC(c3cc[c]cc3)CC2)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.42
▸ MAPT P10636 2/20 0.41
▸ SUV39H2 Q9H5I1 4/20 0.40
▸ CHRM4 P08173 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DPP4 P27487 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
SCHEMBL25329977 0.83 AR (0.43) ARMAPTHTR2A
SCHEMBL25328874 0.81 AR (0.60) AR
SCHEMBL25330105 0.78 AR (0.39) ARMAPT
SCHEMBL31466633 0.78 CHRM4 (0.51) ARMAPTCHRM4MEN1KMT2A
SCHEMBL24989042 0.76 ADRB1 (0.51) —
SCHEMBL17893756 0.75 AR (0.49) ARMAPTSUV39H2CHRM4MEN1
SCHEMBL25330058 0.74 AR (0.50) AR
SCHEMBL25329752 0.73 AR (0.36) ARMAPTMEN1THRBKMT2A
SCHEMBL25329081 0.72 AR (0.40) ARMAPTMEN1KMT2A
SCHEMBL4734994 0.72 QDPR (0.46) ARHTR2A

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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