SCHEMBL671210

SCHEMBL671210

CC(=O)C(C#N)c1ccc(F)cc1Cl.Cc1nn(C)c(N)c1-c1ccc(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
P2RX7 Q99572 5/20 0.35
HSD11B1 P28845 2/20 0.33
MAP3K14 Q99558 1/20 0.33
NR3C2 P08235 3/20 0.33
MAPT P10636 1/20 0.32
NR3C1 P04150 2/20 0.32
CYP3A4 P08684 1/20 0.31
AR P10275 1/20 0.31
SLC34A1 Q06495 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
SCHEMBL173619 0.81 HSD11B1 (0.47) PTPN11SCN10AP2RX7HSD11B1MAPT
SCHEMBL29520229 0.81 HSD11B1 (0.47) PTPN11SCN10AP2RX7HSD11B1MAPT
SCHEMBL157185 0.78 MDM2 (0.41) NR3C2NR3C1
SCHEMBL30211225 0.78 MDM2 (0.41) NR3C2NR3C1
SCHEMBL1726063 0.71 HSD11B1 (0.40) PTPN11SCN10AP2RX7HSD11B1CYP3A4
SCHEMBL23804418 0.71 EGLN2 (0.43) MAPTCYP3A4AR
SCHEMBL17514923 0.69 HSD11B1 (0.47) PTPN11SCN10AP2RX7HSD11B1NR3C2
SCHEMBL20698175 0.69 HSD11B1 (0.49) PTPN11P2RX7HSD11B1
SCHEMBL20698256 0.69 MAPT (0.49) HSD11B1MAP3K14MAPTCYP3A4
SCHEMBL1725607 0.69 MAPT (0.49) NR3C2MAPTSLC34A1

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-2012024586-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-23 WO disclosed