SCHEMBL25696506

SCHEMBL25696506

Cc1ccc(C(=O)N[C@@H]2[C@@H]3COC[C@@H]32)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.43
▸ P2RX7 Q99572 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ BRD1 O95696 1/20 0.33
▸ CCL2 P13500 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ TAF1 P21675 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ SMARCA4 P51532 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ TAF1L Q8IZX4 1/20 0.33

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
SCHEMBL27398490 0.87 BRD4 (0.42) BRD4CNR2
SCHEMBL25690435 0.86 BRD4 (0.41) BRD4P2RX7CNR2
SCHEMBL25690682 0.86 BRD4 (0.41) BRD4P2RX7CNR2
SCHEMBL25690681 0.86 BRD4 (0.41) BRD4P2RX7CNR2
SCHEMBL25696639 0.79 SCN9A (0.48) CNR2
SCHEMBL25698486 0.78 CHRM4 (0.49) —
SCHEMBL29085217 0.78 ALDH1A1 (0.39) BRD4CNR2
SCHEMBL25690680 0.77 CNR2 (0.54) BRD4CNR2
SCHEMBL29085235 0.73 BACE1 (0.46) —
SCHEMBL25690322 0.72 BRD4 (0.44) BRD4P2RX7BAZ2B

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-2023122140-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-06-29 — — WO disclosed
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