SCHEMBL25975652

SCHEMBL25975652

Cc1noc(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.59
BRD2 P25440 2/20 0.59
MLYCD O95822 1/20 0.50
AR P10275 1/20 0.45
CREBBP Q92793 2/20 0.45
NAAA Q02083 1/20 0.44
BRD3 Q15059 1/20 0.44
ERN1 O75460 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
USP30 Q70CQ3 2/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL22524622 0.80 AR (0.71) BRD4BRD2ARBRD3
SCHEMBL5432056 0.79 PTGS2 (0.73) BRD4BRD2
SCHEMBL8300240 0.79 BRD4 (0.70) BRD4BRD2MLYCDCREBBPBRD3
SCHEMBL15815847 0.77 BRD4 (0.73) BRD4CREBBP
SCHEMBL22524612 0.76 BRD4 (0.50) BRD4BRD2ARCREBBPBRD3
SCHEMBL15994968 0.76 ATAD2 (0.52) BRD4BRD2ARCREBBPBRD3
SCHEMBL12362813 0.76 BRD4 (0.66) BRD4BRD2MLYCDCREBBPERN1
SCHEMBL1772573 0.76 BRD4 (0.66) BRD4BRD2MLYCDCREBBPBRD3
SCHEMBL16404607 0.76 BRD4 (0.66) BRD4BRD2MLYCD
SCHEMBL14678367 0.76 BRD4 (0.66) BRD4BRD2MLYCDCREBBPBRD3

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-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 WO disclosed