SCHEMBL21675353

SCHEMBL21675353

CC(=O)N1c2ccc(-c3ccc(F)c(S(C)(=O)=O)c3)cc2N(C(=O)C2CC2)CC1C

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.74
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
NPC1 O15118 1/20 0.36
BRD2 P25440 1/20 0.35
BRD3 Q15059 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
SCHEMBL16722618 1.00 BRD4 (0.74) BRD4NR1H2NR1H3NPC1BRD2
SCHEMBL16721451 0.96 BRD4 (0.69) BRD4
SCHEMBL21675110 0.96 BRD4 (0.69) BRD4
SCHEMBL16722086 0.92 BRD4 (0.74) BRD4NPC1
SCHEMBL21532330 0.90 BRD4 (0.66) BRD4NPC1
SCHEMBL16721157 0.89 BRD4 (0.58) BRD4BRD2BRD3
SCHEMBL16721508 0.88 BRD4 (0.69) BRD4NPC1
SCHEMBL21675294 0.88 BRD4 (0.69) BRD4NPC1
SCHEMBL21532082 0.87 BRD4 (0.61) BRD4
SCHEMBL16722480 0.85 BRD4 (1.00) BRD4NPC1BRD2BRD3

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
EP-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 EP disclosed