SCHEMBL4072065

SCHEMBL4072065

Clc1cccc(Cl)c1CSc1ncco1.[O-][S+](Cc1c(Cl)cccc1Cl)c1ncco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIEZO1 Q92508 5/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 6/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
PLA2G1B P04054 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1411641 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ALMNA
SCHEMBL1411566 0.84 PIEZO1 (0.49) PIEZO1CHRNB4CHRNA3HPGDNPC1
SCHEMBL1411823 0.75 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL3899830 0.72 CHRNB4 (0.44) PIEZO1CHRNB4CHRNA3HPGDNPC1
SCHEMBL1411608 0.72 PIEZO1 (0.36) PIEZO1CHRNB4CHRNA3HPGDNPC1
SCHEMBL1410912 0.68 P2RX7 (0.31)
SCHEMBL1411043 0.68 NPC1 (0.42) PIEZO1HPGDNPC1RAB9ACYP1A2
SCHEMBL4078819 0.67 PIEZO1 (0.33) PIEZO1HPGDNPC1RAB9ANPSR1
SCHEMBL1411175 0.66 CES1 (0.36)
SCHEMBL1411527 0.65 NPC1 (0.37) PIEZO1HPGDNPC1RAB9ACYP1A2

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-2112143-A1 2-(benzylsulfonyl)-oxazol-derivatives, chiral 2-(benzylsulfinyl]-oxazol derivatives, 2-(benzylsulfanyl-oxazol) derivatives, process for their preparation, as well as their use as herbicide and plant growth regulators Bayer CropScience AG (DE) 2009-10-28 EP disclosed