SCHEMBL7744905

SCHEMBL7744905

COc1ccc(Oc2c[c]c(F)cc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
AR P10275 12/20 0.49
PGR P06401 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7745408 0.87 AR (0.49) POLBGAAARPGRFNTA
SCHEMBL7747655 0.85 AR (0.40) POLBGAAARMEN1KMT2A
SCHEMBL5843345 0.82 ALDH1A1 (0.44) ARPGRKDM4EALDH1A1
SCHEMBL7744812 0.80 GSTP1 (0.38) POLBGAAARSLC22A12MAOB
SCHEMBL7740050 0.77 RAB9A (0.38) POLBGAAMEN1ALDH1A1KMT2A
SCHEMBL7745251 0.76 AR (0.40) ARFNTAFNTBPGGT1BALDH1A1
SCHEMBL7744878 0.76 NPSR1 (0.43) POLBGAAARKDM4EMEN1
SCHEMBL27151271 0.76 POLB (0.68) POLBGAAARPGRSLC22A12
SCHEMBL6833436 0.73 GAA (0.53) POLBGAAARPGRSLC22A12
SCHEMBL5843335 0.72 CYP11B1 (0.39) ARCYP11B1CYP11B2

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