SCHEMBL7783341

SCHEMBL7783341

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 7/20 0.52
TSHR P16473 4/20 0.52
GPR35 Q9HC97 2/20 0.52
MAPK1 P28482 2/20 0.52
HIF1A Q16665 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 1/20 0.45
GAA P10253 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
SCHEMBL28379495 0.89 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL27961047 0.88 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL28279027 0.87 HSD17B10 (0.47) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL3136616 0.87 CYP1A2 (0.62) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10891708 0.85 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10890268 0.85 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL8593072 0.83 CYP1A2 (0.62) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL5333075 0.82 CYP1A2 (0.66) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL11196837 0.82 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10884758 0.81 CYP1A2 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 US disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 EP disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 WO disclosed