SCHEMBL22018504

SCHEMBL22018504

CN(C(=O)C(Cl)Sc1nnc(C2C=CC=NC2)n1C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.31
SRC P12931 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL13831013 0.74 DGAT1 (0.45) ALDH1A1KMT2ALMNAPOLB
SCHEMBL13831836 0.73 ALDH1A1 (0.51) ALDH1A1LMNAPOLB
SCHEMBL13832071 0.71 NPC1 (0.53) ALDH1A1ALOX15HSD17B10KMT2ALMNA
SCHEMBL22018539 0.71 ALDH1A1 (0.34) ALDH1A1ALOX15HSD17B10KMT2ASRC
SCHEMBL13831317 0.70 RAB9A (0.53) ALDH1A1KMT2ALMNA
SCHEMBL13830883 0.69 ALDH1A1 (0.41) ALDH1A1HSD17B10KMT2ALMNAPOLB
SCHEMBL13831405 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10KMT2APOLB
SCHEMBL13831692 0.69 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAPOLB
SCHEMBL13831447 0.69 DGAT1 (0.38) ALDH1A1POLB
SCHEMBL22018783 0.65 ALDH1A1 (0.34) ALDH1A1ALOX15HSD17B10KMT2ASRC

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed