SCHEMBL7740123

SCHEMBL7740123

C#CCOc1cccc(Oc2c[c]c(F)cc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
MAOA P21397 4/20 0.35
LMNA P02545 1/20 0.34
GMPS P49915 1/20 0.34
CA12 O43570 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2B6 P20813 1/20 0.32
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
DHODH Q02127 1/20 0.31
GSTP1 P09211 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PGK1 P00558 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
SCHEMBL7745226 0.88 GSTP1 (0.39) MAOBMAOALMNACA12CA4
SCHEMBL7744865 0.82 LMNA (0.39) MAOBMAOALMNAKMT2APGK1
SCHEMBL1531130 0.81 LMNA (0.42) MAOBLMNACYP2B6MEN1KMT2A
SCHEMBL7740084 0.79 MAPT (0.42) MAOBLMNAMEN1KMT2A
SCHEMBL7740258 0.76 STK39 (0.44)
SCHEMBL7747650 0.75 PPARA (0.45) LMNAPPARDPPARACYP1A2
SCHEMBL13338101 0.72 MAOB (0.59) MAOBMAOAGMPSCA12CA4
SCHEMBL7744812 0.71 GSTP1 (0.38) MAOBMAOACA12CA4CA9
SCHEMBL11129665 0.70 MAOB (0.56) MAOBMAOALMNAMEN1KMT2A
SCHEMBL919940 0.69 GSTP1 (0.41) MAOBMAOAGMPSCA12CA4

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
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed