SCHEMBL47090

SCHEMBL47090

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 8/20 0.53
TSHR P16473 3/20 0.53
GPR35 Q9HC97 2/20 0.53
MAPK1 P28482 2/20 0.53
HIF1A Q16665 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7665273 0.86 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL27961047 0.86 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL8593072 0.85 CYP1A2 (0.62) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL5333075 0.84 CYP1A2 (0.66) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10891708 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL188306 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL29638033 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10890268 0.82 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL3136616 0.81 CYP1A2 (0.62) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL14516285 0.81 LMNA (0.47) CYP1A2TDP1ALDH1A1TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003476-A2 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed
EP-1832578-A1 METHOD FOR PRODUCING THIOCARBAMATE DERIVATIVE ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-09-12 EP disclosed
EP-1473330-B1 Process for the synthesis of oxonol compound FUJI PHOTO FILM CO LTD (JP) 2007-02-14 EP disclosed
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