SCHEMBL9861732

SCHEMBL9861732

O=C1c2ccccc2C(=O)N1CCOS(=O)(O)=S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 8/20 0.49
NPC1 O15118 3/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49
GLA P06280 1/20 0.48
BRCA1 P38398 1/20 0.48
GLS O94925 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9861110 0.89 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AMAPTTDP1
SCHEMBL9860919 0.89 MAPT (0.53) SMN1; SMN2HPGDNPSR1RAB9ATSHR
SCHEMBL14015387 0.88 SMN1; SMN2 (0.54) SMN1; SMN2HPGDNPSR1RAB9ANPC1
SCHEMBL9861057 0.88 MAPT (0.51) SMN1; SMN2HPGDNPSR1RAB9ATSHR
SCHEMBL9861151 0.88 SMN1; SMN2 (0.51) SMN1; SMN2HPGDNPSR1RAB9ATSHR
SCHEMBL19133388 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HPGDNPSR1RAB9ATSHR
SCHEMBL9861741 0.85 CA12 (0.44) HPGDTSHRMAPTGLSALDH1A1
SCHEMBL6716400 0.81 HPGD (0.55) SMN1; SMN2HPGDNPSR1RAB9ANPC1
SCHEMBL16997484 0.79 HPGD (0.54) SMN1; SMN2HPGDNPSR1RAB9ANPC1
SCHEMBL290900 0.78 RAB9A (0.50) SMN1; SMN2HPGDNPSR1RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed