SCHEMBL8915201

SCHEMBL8915201

CCOC(=O)C=Cc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.45
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
FBP1 P09467 2/20 0.41
ALDH1A1 P00352 2/20 0.40
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CCR6 P51684 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.39
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL8915195 1.00 STAT3 (0.45) STAT3RAB9ALMNAFBP1ALDH1A1
SCHEMBL5093403 0.83 STAT3 (0.49) STAT3RAB9ALMNAFBP1ALDH1A1
SCHEMBL10420189 0.83 AKR1B1 (0.39) STAT3LMNAHPGDMEN1KMT2A
SCHEMBL10420188 0.83 AKR1B1 (0.39) STAT3LMNAHPGDMEN1KMT2A
SCHEMBL8942315 0.82 CYP3A4 (0.47) LMNAALDH1A1CYP3A4PKMTTR
SCHEMBL8942320 0.82 CYP3A4 (0.47) LMNAALDH1A1CYP3A4PKMTTR
SCHEMBL9756672 0.80 MAPT (0.51) RAB9ALMNAALDH1A1CYP3A4MEN1
SCHEMBL9756670 0.80 MAPT (0.51) RAB9ALMNAALDH1A1CYP3A4MEN1
SCHEMBL9796782 0.80 CNKSR1 (0.46) LMNAALDH1A1CYP3A4PKMTTR
SCHEMBL1028988 0.80 STAT3 (0.54) STAT3RAB9ALMNAFBP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2243653-A None JP disclosed
US-5700761-A PREEMERGENCE, POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-23 US disclosed
JP-H02243653-A CINNAMIC ACID ESTER DERIVATIVE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1990-09-27 JP disclosed