SCHEMBL16586183

SCHEMBL16586183

N#Cc1c[c]c2ccc(F)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 1/20 0.32
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
USP47 Q96K76 1/20 0.31
GRM5 P41594 1/20 0.31
MIF P14174 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
CDC7 O00311 1/20 0.30
P4HB P07237 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
SCHEMBL16585928 0.86 KDM4E (0.33) KDM4ETP53CYP2A6CYP1A2USP8
SCHEMBL643635 0.76 CA1 (0.42) KDM4ECYP2A6MAOAMAOBIMPDH2
SCHEMBL5749242 0.73 CA1 (0.40) CYP2A6MAOBIMPDH2IMPDH1
SCHEMBL19176615 0.72 CYP2A6 (0.50) KDM4ETP53CYP2A6CYP1A2MAOA
SCHEMBL21812156 0.67 CA1 (0.38) KDM4ETP53CYP2A6MIFIMPDH2
SCHEMBL2772625 0.65 MIF (0.37) KDM4EMIFP4HB
SCHEMBL5828010 0.65 CYP1A2 (0.44) CYP2A6CYP1A2
SCHEMBL19919236 0.64 MIF (0.36) KDM4ETP53CYP2A6CYP1A2GRM5
SCHEMBL2768407 0.64 MEN1 (0.42) GRM5MIF
SCHEMBL12316913 0.64 PTPN11 (0.41) MIFP4HB

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-2015040141-A1 CYCLOBUTYLCARBOXAMIDES AS NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-03-26 WO disclosed