SCHEMBL7744812

SCHEMBL7744812

C#CCOc1ccc(Oc2c[c]c(F)cc2C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.38
AR P10275 8/20 0.35
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
ACHE P22303 1/20 0.35
CA12 O43570 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
SLC22A12 Q96S37 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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 0.82 GSTP1 (0.39) GSTP1MAOBMAOAACHECA12
SCHEMBL7744905 0.80 POLB (0.53) ARMAOBSLC22A12MEN1KMT2A
SCHEMBL7747655 0.80 AR (0.40) ARMEN1KMT2APOLBGAA
SCHEMBL7744878 0.76 NPSR1 (0.43) ARMEN1KMT2APOLBGAA
SCHEMBL25532337 0.73 CYP11B1 (0.45) GSTP1MAOBMAOAACHECA12
SCHEMBL5844399 0.73 ALOX5AP (0.32)
SCHEMBL7745408 0.71 AR (0.49) ARPOLBGAA
SCHEMBL7745251 0.71 AR (0.40) AR
SCHEMBL7740123 0.71 MAOB (0.38) GSTP1MAOBMAOACA12CA4
SCHEMBL16395352 0.71 GSTP1 (0.46) GSTP1MAOBMAOAACHECA12

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