SCHEMBL25330749

SCHEMBL25330749

COc1cc(-c2cc(C(F)(F)F)c(=O)n(C)c2)cc(OC)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.44
BRD9 Q9H8M2 8/20 0.44
BRD2 P25440 2/20 0.44
BRD7 Q9NPI1 2/20 0.44
ERN1 O75460 3/20 0.37
CREBBP Q92793 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
SCHEMBL25925480 0.84 BRD4 (0.43) BRD4BRD9BRD2BRD7CREBBP
SCHEMBL19857653 0.82 BRD4 (0.63) BRD4BRD9BRD2BRD7ERN1
SCHEMBL21224833 0.80 BRD4 (0.54) BRD4BRD9BRD2BRD7ERN1
SCHEMBL21227686 0.73 BRD4 (0.42) BRD4BRD9BRD2BRD7ERN1
SCHEMBL23123760 0.71 BRD4 (0.62) BRD4BRD9BRD2BRD7ERN1
SCHEMBL22291611 0.71 BRD9 (0.44) BRD4BRD9BRD2BRD7ERN1
SCHEMBL23783259 0.69 BRD4 (0.64) BRD4BRD9BRD2BRD7
SCHEMBL30032023 0.69 BRD4 (0.64) BRD4BRD9BRD2BRD7
SCHEMBL23134699 0.68 BRD4 (0.68) BRD4BRD9BRD2BRD7
SCHEMBL22305990 0.68 BRD9 (0.43) BRD4BRD9BRD2BRD7ERN1

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
CN-118647616-A Nitrogen-containing heteroaromatic compound, and composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-09-13 CN disclosed
WO-2023143370-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND AS WELL AS COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-08-03 WO disclosed