SCHEMBL9756670

SCHEMBL9756670

O=C(O)/C=C/c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
MIF P14174 1/20 0.42
PLA2G4A P47712 1/20 0.41
BACE1 P56817 2/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.38
VCAM1 P19320 2/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL9756672 1.00 MAPT (0.51) MAPTMIFPLA2G4ABACE1MAOB
SCHEMBL8942468 0.82 MIF (0.53) MAPTMIFBACE1LMNAPTGER1
SCHEMBL8849999 0.82 MIF (0.53) MAPTMIFBACE1LMNAPTGER1
SCHEMBL10420189 0.80 AKR1B1 (0.39) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL8915195 0.80 STAT3 (0.45) BACE1LMNAKMT2AMEN1ALDH1A1
SCHEMBL10420188 0.80 AKR1B1 (0.39) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL8915201 0.80 STAT3 (0.45) BACE1LMNAKMT2AMEN1ALDH1A1
SCHEMBL5989277 0.78 MAPT (0.57) MAPTPLA2G4ABACE1MAOBVCAM1
SCHEMBL5015651 0.78 MAPT (0.57) MAPTPLA2G4ABACE1MAOBVCAM1
SCHEMBL5015650 0.78 MAPT (0.57) MAPTPLA2G4ABACE1MAOBVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991011442-A1 HERBICIDAL CINNAMIC ESTER URACILS UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-08-08 WO disclosed
US-4979982-A Herbicidal cinnamic ester uracils UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-12-25 US disclosed