SCHEMBL19832891

SCHEMBL19832891

N#Cc1cc(C=O)ccc1-n1cnc(N)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.31
ALDH1A3 P47895 2/20 0.31
ALOX5AP P20292 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14321145 0.84 ALOX5AP (0.36) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL14321556 0.80 ALDH1A1 (0.38) LMNAALDH1A1MEN1GAAMAPT
SCHEMBL1610377 0.75 ALDH1A1 (0.54) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL1611233 0.75 KCNJ1 (0.54) KDM4EALDH1A1MEN1KMT2A
SCHEMBL14321962 0.72
SCHEMBL14321966 0.72
SCHEMBL19824072 0.72
SCHEMBL4460639 0.71 EGLN1 (0.32) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL14321124 0.70 ALOX5AP (0.36) KDM4EALOX5AP
SCHEMBL13983048 0.69 CYP1A2 (0.48) KDM4ELMNAALDH1A1GAA

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-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed