SCHEMBL31722803

SCHEMBL31722803

CC#CNC(=O)c1cc(Br)c[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.62
▸ PKM P14618 4/20 0.47
▸ DAO P14920 1/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ VIP P01282 1/20 0.39
▸ KCNA6 P17658 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ KCNA4 P22459 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ SCN3A Q9NY46 2/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ERCC1 P07992 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ IDO1 P14902 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
SCHEMBL23718091 0.77 CREBBP (1.00) CREBBPPKMDAOKMT2AVIP
SCHEMBL23952430 0.73 CREBBP (0.67) CREBBPPKMDAOKMT2AVIP
SCHEMBL15176658 0.70 — —
SCHEMBL519390 0.69 CREBBP (0.61) CREBBPPKMDAOKMT2A
SCHEMBL29065289 0.68 OGG1 (0.52) KMT2A
SCHEMBL10672551 0.68 CREBBP (0.59) CREBBPPKMDAOKMT2AVIP
SCHEMBL1928760 0.68 — —
SCHEMBL16472424 0.67 CREBBP (0.58) CREBBPPKMDAOKMT2AVIP
SCHEMBL15228733 0.66 — —
SCHEMBL23221910 0.66 DAO (0.56) CREBBPPKMDAOKMT2AVIP

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-120904170-A Preparation method, intermediate and application of membranous element 上海陶术生物科技股份有限公司 2025-11-07 — — CN disclosed
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