SCHEMBL31440317

SCHEMBL31440317

Cc1cc(Oc2c(C)cc(F)cc2C)cc(-c2c(C)noc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.42
CREBBP Q92793 9/20 0.42
BRD2 P25440 6/20 0.41
FFAR1 O14842 2/20 0.41
ERN1 O75460 2/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ATAD2 Q6PL18 1/20 0.36

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
SCHEMBL12077969 0.75 BRD4 (0.55) BRD4CREBBPBRD2FFAR1ERN1
SCHEMBL16404607 0.65 BRD4 (0.66) BRD4BRD2
SCHEMBL8300240 0.64 BRD4 (0.70) BRD4CREBBPBRD2ERN1
SCHEMBL24526560 0.64 ATAD2 (0.72) BRD4CREBBPBRD2FFAR1ERN1
SCHEMBL29759278 0.64 BRD4 (0.62) BRD4CREBBPBRD2FFAR1ERN1
SCHEMBL24526813 0.64 BRD4 (0.62) BRD4CREBBPBRD2FFAR1ERN1
SCHEMBL15980857 0.64 BRD4 (0.49) BRD4CREBBPBRD2ERN1ATAD2
SCHEMBL14987845 0.63 BRD4 (0.48) BRD4BRD2NPC1POLBCASP3
SCHEMBL13036108 0.63 BRD4 (0.57) BRD4CREBBPBRD2ERN1
SCHEMBL30231039 0.63 BRD4 (0.49) BRD4BRD2FFAR1ERN1

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
WO-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO claimed
WO-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed