SCHEMBL30811982

SCHEMBL30811982

COc1cc(N2CC(CC3CCNCC3)C2)ccc1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 4/20 0.46
▸ BRD4 O60885 16/20 0.46
▸ CECR2 Q9BXF3 1/20 0.45
▸ GABBR2 O75899 1/20 0.45
▸ BRD2 P25440 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ BRDT Q58F21 1/20 0.45
▸ PBRM1 Q86U86 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ KAT2A Q92830 1/20 0.45
▸ BRD7 Q9NPI1 1/20 0.45
▸ GABBR1 Q9UBS5 1/20 0.45

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
SCHEMBL31683453 0.91 BRD4 (0.48) BRD9BRD4
SCHEMBL30812189 0.88 BRD4 (0.44) BRD9BRD4
SCHEMBL30812047 0.87 BRD4 (0.48) BRD9BRD4
SCHEMBL30812004 0.85 BRD4 (0.45) BRD9BRD4
SCHEMBL30812178 0.85 BRD4 (0.45) BRD9BRD4
SCHEMBL30812238 0.82 BRD9 (0.45) BRD9BRD4CECR2GABBR2BRD2
SCHEMBL30812225 0.81 BRD4 (0.52) BRD9BRD4
SCHEMBL30812167 0.81 BRD4 (0.43) BRD4
SCHEMBL31245965 0.80 BRD4 (0.48) BRD9BRD4
SCHEMBL30824882 0.79 BRD9 (0.50) BRD9BRD4CECR2GABBR2BRD2

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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
Send feedback