SCHEMBL31440650

SCHEMBL31440650

Cc1noc(C)c1-c1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.50
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 8/20 0.41
BRD2 P25440 2/20 0.41
FTO Q9C0B1 2/20 0.40
PGR P06401 2/20 0.40
FFAR1 O14842 1/20 0.40
GRM5 P41594 1/20 0.39
CREBBP Q92793 1/20 0.39
ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL31440582 0.83 ERN1 (0.42) ERN1BRD4BRD2FFAR1GRM5
SCHEMBL12077969 0.81 BRD4 (0.55) ERN1BRD4BRD2FFAR1GRM5
SCHEMBL31440588 0.78 HSPB1 (0.40) ERN1ALDH1A1BRD4BRD2FTO
SCHEMBL3889591 0.77 BRD4 (0.57) ERN1ALDH1A1BRD4BRD2PGR
SCHEMBL31440552 0.74 BRD4 (0.63) ERN1BRD4CREBBP
SCHEMBL16156525 0.73 ERN1 (0.55) ERN1ALDH1A1BRD4BRD2CREBBP
SCHEMBL18258249 0.73 ALDH1A1 (0.44) ERN1ALDH1A1BRD4FFAR1
SCHEMBL29582418 0.73 ERN1 (0.55) ERN1ALDH1A1BRD4BRD2CREBBP
SCHEMBL24526813 0.72 BRD4 (0.62) ERN1BRD4BRD2FTOFFAR1
SCHEMBL29759278 0.72 BRD4 (0.62) ERN1BRD4BRD2FTOFFAR1

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