SCHEMBL8064653

SCHEMBL8064653

COC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
COMT P21964 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SIRT6 Q8N6T7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR35 Q9HC97 1/20 0.41
VCAM1 P19320 1/20 0.40

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
SCHEMBL15996997 0.84 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28819003 0.83 COMT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12000739 0.83 TDP1 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6626231 0.81 ALDH1A1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8744077 0.81 ALDH1A1 (0.39) TDP1COMTTSHRSMN1; SMN2ALDH1A1
SCHEMBL1478701 0.80 ALDH1A1 (0.60) TDP1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL3291904 0.80 ALDH1A1 (0.60) TDP1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL10558853 0.80 TSHR (0.47) TDP1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL2901232 0.80 TDP1 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11217561 0.80 SMN1; SMN2 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751768-B1 ANTI-VIRAL AND ANTI-CANCER AGENT RADOPATH PHARMACEUTICALS INTER (GB) 2000-12-27 EP disclosed
EP-1016405-A2 Arylating medicaments Radopath Pharmaceuticals International Limited (GB) 2000-07-05 EP disclosed
EP-0751768-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1997-01-08 EP disclosed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 EP disclosed
EP-0677292-A1 Anti-viral and anti-cancer agents RADOPATH LIMITED (GB) 1995-10-18 EP disclosed
WO-1995024897-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1995-09-21 WO disclosed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 WO disclosed