SCHEMBL20302003

SCHEMBL20302003

COc1cccc(NC(=O)c2snnc2C(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 2/20 0.57
RXFP1 Q9HBX9 1/20 0.53
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NLRP3 Q96P20 1/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
GRM4 Q14833 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL20302527 0.88 USP36 (0.54) THRBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20301948 0.85 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20301887 0.85 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20301991 0.83 THRB (0.55) THRBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20301998 0.82 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20301820 0.82 LMNA (0.62) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20301814 0.81 MEN1 (0.47) SMN1; SMN2MAPTRXFP1KMT2AALDH1A1
SCHEMBL20301935 0.81 USP36 (0.57) MAPTTP53KMT2AALDH1A1MEN1
SCHEMBL20301959 0.81 LMNA (0.43) THRBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20301883 0.80 KIF18A (0.43) SMN1; SMN2MAPTTP53KMT2AALDH1A1

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
WO-2018116073-A1 1, 2, 3-THIADIAZOLE COMPOUNDS AND THEIR USE AS CROP PROTECTING AGENT PI INDUSTRIES LTD. (IN) 2018-06-28 WO disclosed