SCHEMBL31440588

SCHEMBL31440588

Cc1cc([N+](=O)[O-])ccc1Oc1cc(F)cc(-c2c(C)noc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.40
ERN1 O75460 2/20 0.40
FFAR1 O14842 1/20 0.38
BRD4 O60885 7/20 0.38
CREBBP Q92793 6/20 0.38
EPAS1 Q99814 2/20 0.38
VEGFA P15692 1/20 0.37
BRD2 P25440 4/20 0.37
AKR1C3 P42330 2/20 0.36
GRM5 P41594 1/20 0.36
FTO Q9C0B1 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL31440554 0.89 ERN1 (0.41) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL31440582 0.86 ERN1 (0.42) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL31440565 0.81 BRD4 (0.41) FFAR1BRD4CREBBPBRD2GRM5
SCHEMBL31440650 0.78 ERN1 (0.50) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL31440606 0.75 ERN1 (0.43) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL16023861 0.73 HSPB1 (0.71) HSPB1ALDH1A1
SCHEMBL25176610 0.73 HSPB1 (0.49) HSPB1EPAS1ALDH1A1
SCHEMBL30315053 0.73 HSPB1 (0.49) HSPB1EPAS1ALDH1A1
SCHEMBL3889591 0.71 BRD4 (0.57) ERN1BRD4CREBBPBRD2ALDH1A1
SCHEMBL31440649 0.71 ATAD2 (0.45) ERN1FFAR1BRD4CREBBPBRD2

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