SCHEMBL13768420

SCHEMBL13768420

CC1=C(C(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)SCCO1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 6/20 0.48
NPC1 O15118 1/20 0.48
CHRM3 P20309 6/20 0.47
POLB P06746 1/20 0.46
ADRB2 P07550 1/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL13768521 0.92 MAPK1 (0.53) MAPK1HSD17B10KMT2ANPC1CHRM3
SCHEMBL13768683 0.91 MAPK1 (0.56) MAPK1HSD17B10KMT2ANPC1CHRM3
SCHEMBL13768423 0.91 MAPK1 (0.56) MAPK1HSD17B10KMT2ANPC1CHRM3
SCHEMBL13768785 0.88 MAPK1 (0.55) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3969926 0.87 MAPK1 (0.56) MAPK1HSD17B10KMT2ANPC1CHRM3
SCHEMBL13001988 0.86 CHRM3 (0.43) MAPK1HSD17B10KMT2ANPC1CHRM3
SCHEMBL13768401 0.85 MAPK1 (0.50) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3761969 0.85 MAPK1 (0.59) MAPK1HSD17B10KMT2ANPC1CHRM3
SCHEMBL3963246 0.85 MAPK1 (0.54) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3966130 0.85 MAPK1 (0.56) MAPK1HSD17B10KMT2ANPC1CHRM3

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-1509513-B1 MICROBICIDAL OXATHIINCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2009-07-29 EP disclosed