SCHEMBL1843259

SCHEMBL1843259

NC(=O)Oc1ccc(C(n2cccn2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
STAT6 P42226 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HIF1A Q16665 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
EGLN1 Q9GZT9 2/20 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
SCHEMBL3435309 0.72
SCHEMBL26633369 0.70 KIF11 (0.53) KIF11MEN1KMT2AESR1TSHR
SCHEMBL4707233 0.69 KDM4E (0.50) MEN1KMT2AKDM4ELMNA
SCHEMBL5671157 0.67 NOS1 (0.33)
SCHEMBL1817977 0.66 POLB (0.30)
SCHEMBL28356235 0.65 KIF11 (0.50) KIF11MEN1KMT2ALMNAESR1
SCHEMBL31489659 0.65 CYP26A1 (0.36) EGLN1
SCHEMBL23582872 0.64 CYP26A1 (0.43) CYP3A4CYP2C9TSHREGLN1ELANE
SCHEMBL6284986 0.64 KMT2A (0.64) KIF11MEN1KMT2ALMNAELANE
SCHEMBL6919305 0.62 SMN1; SMN2 (0.42) KDM4ELMNA

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
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed