SCHEMBL325579

SCHEMBL325579

N#Cc1cc(C2=NCC(c3cc(Cl)nc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1-n1cncn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 1/20 0.31

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
SCHEMBL855560 0.94 ALOX5AP (0.33) ALOX5AP
SCHEMBL325242 0.94 HSD17B10 (0.37) KDM4ETSHRMAPK1HSD17B10ALDH1A1
SCHEMBL326219 0.89 CNR2 (0.33) KDM4EALDH1A1ALOX5AP
SCHEMBL807501 0.87 ALOX5AP (0.31) ALOX5AP
SCHEMBL325427 0.85
SCHEMBL325297 0.84 ALDH1A1 (0.33) KDM4ETSHRMAPK1HSD17B10ALDH1A1
SCHEMBL2699627 0.83 BACE1 (0.33)
SCHEMBL4744913 0.78 KDM4E (0.37) KDM4E
SCHEMBL855508 0.76 BACE1 (0.35)
SCHEMBL854423 0.76 PGR (0.32)

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-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed