SCHEMBL14654129

SCHEMBL14654129

CNC(=O)c1sc(-c2cccnc2)nc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.71
CYP3A4 P08684 4/20 0.71
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
CYP2C19 P33261 3/20 0.55
LMNA P02545 1/20 0.55
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CDC7 O00311 2/20 0.49
DBF4 Q9UBU7 2/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL14636748 0.86 CYP3A4 (0.55) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL290490 0.85 CYP1A2 (0.53) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL14635630 0.84 MEN1 (0.52) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL11389733 0.83 CYP1A2 (1.00) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL14636639 0.83 CYP1A2 (0.52) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL14652378 0.82 MEN1 (0.50) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL14636051 0.82 MEN1 (0.49) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL14636049 0.82 MEN1 (0.49) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL15626267 0.81 CYP1A2 (0.76) CYP1A2CYP3A4MEN1KMT2AMAPT
SCHEMBL290342 0.80 CDC7 (0.72) CYP1A2CYP3A4MEN1KMT2AMAPT

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-2013010947-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2013-01-24 WO disclosed