SCHEMBL22018783

SCHEMBL22018783

CN(C(=O)C(F)Sc1nnc(C2CC=CS2)n1C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.32
RIPK1 Q13546 1/20 0.32
SRC P12931 1/20 0.32
POLB P06746 1/20 0.31
DGAT1 O75907 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL22018539 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10ALOX15PKMKMT2A
SCHEMBL13831222 0.74 DGAT1 (0.48) ALDH1A1KMT2APOLBDGAT1L3MBTL1
SCHEMBL13832057 0.73 NPC1 (0.53) ALDH1A1HSD17B10ALOX15KMT2APOLB
SCHEMBL13831832 0.73 ALDH1A1 (0.52) ALDH1A1POLBDGAT1L3MBTL1
SCHEMBL22018773 0.72 RIPK1 (0.31) KMT2ARIPK1
SCHEMBL13831458 0.71 DGAT1 (0.41) ALDH1A1KMT2APOLBDGAT1L3MBTL1
SCHEMBL13831202 0.70 RAB9A (0.54) ALDH1A1KMT2ADGAT1L3MBTL1
SCHEMBL13831009 0.69 DGAT1 (0.41) ALDH1A1HSD17B10PKMKMT2APOLB
SCHEMBL13831443 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10PKMKMT2APOLB
SCHEMBL13831687 0.69 ALDH1A1 (0.54) ALDH1A1KMT2APOLBL3MBTL1

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