SCHEMBL23745145

SCHEMBL23745145

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.60
▸ BRD2 P25440 9/20 0.60
▸ BRD3 Q15059 9/20 0.60
▸ CYP3A4 P08684 7/20 0.60
▸ CYP2C9 P11712 7/20 0.60
▸ CACNA1A O00555 1/20 0.60
▸ CHRNA1 P02708 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CCL2 P13500 1/20 0.60
▸ KCNA5 P22460 1/20 0.60
▸ TACR1 P25103 1/20 0.60
▸ MAOB P27338 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ AVPR1A P37288 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ SCN5A Q14524 1/20 0.60
▸ BRDT Q58F21 1/20 0.60
▸ CREBBP Q92793 1/20 0.60
▸ KCNH3 Q9ULD8 1/20 0.60

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
SCHEMBL17169738 0.76 BRD4 (0.69) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL20373756 0.76 BRD4 (0.36) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12099063 0.76 BRD4 (0.75) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12098810 0.75 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1906755 0.75 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL29376121 0.75 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1904423 0.75 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL29366680 0.75 BRD4 (1.00) BRD4BRD2BRD3CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29881331 0.74 BRD4 (0.98) BRD4BRD2BRD3CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL30014518 0.74 BRD4 (0.98) BRD4BRD2BRD3CYP3A4CYP2C9

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-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 — — WO disclosed
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