SCHEMBL31587232

SCHEMBL31587232

Cc1cc(-n2ccc(CC(=O)Nc3cc(C4CC4)n[nH]3)n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.42
▸ KCNH2 Q12809 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35

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
SCHEMBL31587057 0.92 AR (0.47) ARCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31587271 0.90 AR (0.49) ARKCNH2SIGMAR1CACNA1GCACNA1H
SCHEMBL31587022 0.88 AR (0.49) ARCRACR2A
SCHEMBL31587666 0.85 CDK2 (0.40) ARCACNA1GCACNA1HCACNA1ICCNE1
SCHEMBL31586967 0.85 KCNJ6 (0.41) ARCCNE1CDK2CRACR2A
SCHEMBL31587341 0.84 CDK2 (0.50) CCNE1CDK2
SCHEMBL31517626 0.83 CACNA1H (0.37) KCNH2CACNA1GCACNA1HCACNA1ICCNE1
SCHEMBL31587008 0.79 CDK2 (0.38) ARCCNE1CDK2CRACR2A
SCHEMBL31587181 0.79 CDK2 (0.38) CCNE1CDK2CRACR2A
SCHEMBL31587320 0.78 CCNE1 (0.39) ARCACNA1GCACNA1HCACNA1ICCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 — — WO claimed
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 — — WO disclosed
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