SCHEMBL31440565

SCHEMBL31440565

Cc1cc(N)ccc1Oc1cc(F)cc(-c2c(C)noc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.41
CREBBP Q92793 9/20 0.41
ATAD2 Q6PL18 1/20 0.40
BRD2 P25440 6/20 0.40
FFAR1 O14842 1/20 0.39
BRD3 Q15059 1/20 0.38
JAK2 O60674 1/20 0.37
GRM5 P41594 1/20 0.37
FTO Q9C0B1 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
SCHEMBL31440559 0.88 ATAD2 (0.42) BRD4CREBBPATAD2BRD2BRD3
SCHEMBL31440649 0.84 ATAD2 (0.45) BRD4CREBBPATAD2BRD2FFAR1
SCHEMBL31440588 0.81 HSPB1 (0.40) BRD4CREBBPBRD2FFAR1GRM5
SCHEMBL12077969 0.73 BRD4 (0.55) BRD4CREBBPBRD2FFAR1GRM5
SCHEMBL31440624 0.72 ATAD2 (0.47) BRD4CREBBPATAD2BRD2FFAR1
SCHEMBL31440317 0.72 BRD4 (0.42) BRD4CREBBPATAD2BRD2FFAR1
SCHEMBL31440582 0.70 ERN1 (0.42) BRD4CREBBPATAD2BRD2FFAR1
SCHEMBL29764012 0.70 ALDH1A1 (0.50)
SCHEMBL23850 0.70 ALDH1A1 (0.50)
SCHEMBL31440554 0.70 ERN1 (0.41) BRD4CREBBPBRD2FFAR1BRD3

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