SCHEMBL22018518

SCHEMBL22018518

CCc1ccc(NC(=O)CSc2nnc(C3C=CC(F)=NC3)n2CC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL22019367 0.80 SLC27A1 (0.54) ALDH1A1RAB9ATSHRALOX15MAPK1
SCHEMBL22019368 0.80 TSHR (0.54) ALDH1A1NPC1RAB9ATSHRMAPK1
SCHEMBL22046717 0.76 ALDH1A1 (0.55) ALDH1A1TSHRALOX15MAPK1MEN1
SCHEMBL22018522 0.74 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBTSHR
SCHEMBL13831451 0.73 ALDH1A1 (0.69) ALDH1A1NPC1RAB9APKMPOLB
SCHEMBL22018519 0.73 ALDH1A1 (0.62) ALDH1A1NPC1RAB9APOLBTSHR
SCHEMBL22018510 0.73 TSHR (0.54) ALDH1A1RAB9APOLBTSHRALOX15
SCHEMBL13830965 0.72 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL18559297 0.72 ALDH1A1 (0.82) ALDH1A1POLBTSHRALOX15MAPK1
SCHEMBL15986325 0.72 ALDH1A1 (0.82) ALDH1A1POLBTSHRALOX15MAPK1

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