SCHEMBL7688191

SCHEMBL7688191

CCS(=O)(=O)Nc1cc(N=C=S)c(F)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.40
PSIP1 O75475 1/20 0.39
AR P10275 1/20 0.36
BRD4 O60885 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
S100A9 P06702 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
STAT3 P40763 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 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
SCHEMBL6573122 0.82 PGR (0.50) PGRPSIP1ARBRD4SLC22A12
SCHEMBL10519626 0.82 PSIP1 (0.41) PGRPSIP1ARLMNAALDH1A1
SCHEMBL6577272 0.77 PSIP1 (0.44) PGRPSIP1ARBRD4SLC22A12
SCHEMBL7753799 0.76 PGR (0.45) PGRPSIP1ARBRD4SLC22A12
SCHEMBL7693188 0.72 TRPV4 (0.47)
SCHEMBL4035205 0.71 PSIP1 (0.46) PGRPSIP1ARBRD4SLC22A12
SCHEMBL8746381 0.70
SCHEMBL7049481 0.69 PSIP1 (0.42) PGRPSIP1ARLMNAALDH1A1
SCHEMBL6662088 0.69 NLRP3 (0.44) PGRPSIP1ARBRD4ALDH1A1
SCHEMBL3381552 0.69 SLC22A12 (0.46) PGRPSIP1ARSLC22A12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339044-B1 USEFUL AS HERBICIDES AND INSECTICIDES BAYER AKTIENGESELLSCHAFT 2002-01-15 US disclosed
EP-0736014-B1 N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS BAYER AG (DE) 2001-04-04 EP disclosed
EP-0736014-A1 N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS BAYER AG (DE) 1996-10-09 EP disclosed
WO-1995017391-A1 N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS BAYER AKTIENGESELLSCHAFT (DE) 1995-06-29 WO disclosed