SCHEMBL33135

SCHEMBL33135

C=C/N=C(/Cl)c1cc([N+](=O)[O-])c(F)cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 7/20 0.34
CYP3A4 P08684 4/20 0.34
HIF1A Q16665 2/20 0.33
ESPL1 Q14674 1/20 0.32
GPR35 Q9HC97 2/20 0.32
VCAM1 P19320 1/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 2/20 0.31
ALOX15 P16050 2/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 3/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
TTR P02766 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL23337282 0.77 TDP1 (0.40) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL13999989 0.73 ALDH1A1 (0.51) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL8270843 0.71 TDP1 (0.40) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL564506 0.70 TDP1 (0.52) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL29595940 0.70 TDP1 (0.52) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL3990674 0.70 TDP1 (0.52) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL30110723 0.70 TDP1 (0.52) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL1967460 0.69 LMNA (0.42) TDP1ALDH1A1CYP3A4GPR35MAPT
SCHEMBL8698196 0.69 TDP1 (0.50) TDP1ATMALDH1A1CYP3A4HIF1A
SCHEMBL429318 0.68 TDP1 (0.40) TDP1ATMALDH1A1CYP3A4HIF1A

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
EP-1746999-B1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER LAMBERT CO (US) 2011-11-16 EP disclosed