SCHEMBL21675294

SCHEMBL21675294

CC(=O)N1c2ccc(-c3ccc(S(C)(=O)=O)c(F)c3)cc2N(C(=O)C2CCC2)CC1C

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.69
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL16721508 1.00 BRD4 (0.69) BRD4TSHRNPC1
SCHEMBL16722086 0.96 BRD4 (0.74) BRD4NPC1
SCHEMBL21675110 0.92 BRD4 (0.69) BRD4TSHR
SCHEMBL16721451 0.92 BRD4 (0.69) BRD4TSHR
SCHEMBL16722618 0.88 BRD4 (0.74) BRD4NPC1
SCHEMBL21675353 0.88 BRD4 (0.74) BRD4NPC1
SCHEMBL21674893 0.87 BRD4 (0.67) BRD4NPC1
SCHEMBL16722085 0.87 BRD4 (0.67) BRD4NPC1
SCHEMBL16721234 0.87 BRD4 (0.58) BRD4
SCHEMBL16721411 0.87 BRD4 (0.64) BRD4

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