SCHEMBL9190652

SCHEMBL9190652

O=[N+]([O-])c1ccc([N+](=O)[O-])c(CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
TDP1 Q9NUW8 3/20 0.50
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 5/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
HIF1A Q16665 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL136817 0.85 CYP1A2 (0.62) GPR35TDP1CYP1A2ALDH1A1TSHR
SCHEMBL29368452 0.84 CYP1A2 (0.47) GPR35TDP1CYP1A2ALDH1A1TSHR
SCHEMBL260864 0.84 CYP1A2 (0.47) GPR35TDP1CYP1A2ALDH1A1TSHR
SCHEMBL5252230 0.84 GPR35 (0.57) GPR35TDP1CYP1A2ALDH1A1TSHR
SCHEMBL29706685 0.82 PTPRC (0.52) TDP1CYP1A2ALDH1A1TSHRCYP3A4
SCHEMBL6830861 0.82 GPR35 (0.55) GPR35TDP1CYP1A2ALDH1A1TSHR
SCHEMBL29561837 0.81 ACHE (0.43) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL2124815 0.81 ACHE (0.43) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL26979837 0.81 TSHR (0.40) GPR35TDP1ALDH1A1TSHRMAPK1
SCHEMBL11222493 0.81 GPR35 (0.53) GPR35TDP1CYP1A2ALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452725-B1 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEM RES (JP) 1995-11-08 EP disclosed
EP-0635533-A1 Polyimide-based liquid crystal aligning agent SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-5153304-A Polyimides; liquid crystal tilting agent; water-repelling SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-10-06 US disclosed
US-5144078-A Polyimide intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-09-01 US disclosed
EP-0452725-A2 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-23 EP disclosed