SCHEMBL31440554

SCHEMBL31440554

Cc1cc(Oc2ccc([N+](=O)[O-])cc2C)cc(-c2c(C)noc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 10/20 0.38
BRD2 P25440 8/20 0.38
CREBBP Q92793 6/20 0.38
AKR1C3 P42330 2/20 0.38
BRD3 Q15059 4/20 0.37
TBXA2R P21731 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 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
SCHEMBL31440588 0.89 HSPB1 (0.40) ERN1BRD4BRD2CREBBPAKR1C3
SCHEMBL31440606 0.85 ERN1 (0.43) ERN1HTTBRD4BRD2CREBBP
SCHEMBL31440559 0.81 ATAD2 (0.42) BRD4BRD2CREBBPBRD3ALDH1A1
SCHEMBL31440582 0.75 ERN1 (0.42) ERN1BRD4BRD2CREBBPBRD3
SCHEMBL22966227 0.74 ALDH1A1 (0.54) HTTPOLBTBXA2RALDH1A1TSHR
SCHEMBL31440568 0.74 ALDH1A1 (0.47) HTTTBXA2RALDH1A1TSHRTDP1
SCHEMBL3889591 0.73 BRD4 (0.57) ERN1POLBBRD4BRD2CREBBP
SCHEMBL1903461 0.72 TDP1 (0.48) HTTPOLBBRD4BRD2AKR1C3
SCHEMBL17467704 0.71 AKR1C3 (0.41) ERN1POLBBRD4BRD2AKR1C3
SCHEMBL11980663 0.71 ALDH1A1 (0.49) ERN1POLBBRD4BRD2BRD3

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