SCHEMBL7690607

SCHEMBL7690607

CCS(=O)(=O)Nc1cc(-c2nn(C)c(C#N)c2C)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.43
AR P10275 2/20 0.35
BRAF P15056 3/20 0.33
PSIP1 O75475 1/20 0.33
BRD4 O60885 3/20 0.33
MCL1 Q07820 1/20 0.32
ACLY P53396 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL7688573 0.79
SCHEMBL7687809 0.76 AR (0.33) AR
SCHEMBL7688339 0.76 LMNA (0.32)
SCHEMBL7686737 0.76 PDE10A (0.30)
SCHEMBL7694533 0.75 NTRK1 (0.35)
SCHEMBL7690601 0.74 HSP90AB1 (0.39)
SCHEMBL7689189 0.74
SCHEMBL7693953 0.72 SLC34A1 (0.32)
SCHEMBL7692799 0.72 PGK1 (0.38)
SCHEMBL7690605 0.71 HSD11B1 (0.39)

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
US-6339046-B1 FOR CONTROLLING WEEDS SYNGENTA INVESTMENT CORPORATION 2002-01-15 US disclosed
EP-0839808-A1 Pyrazole derivatives, processes for their preparation, and their use as herbicides Novartis AG (CH) 1998-05-06 EP disclosed