SCHEMBL9860919

SCHEMBL9860919

O=C1c2ccccc2C(=O)N1CCCCOS(=O)(O)=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL9861057 0.98 MAPT (0.51) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL9861151 0.98 SMN1; SMN2 (0.51) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL19133388 0.97 SMN1; SMN2 (0.50) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL9861110 0.94 SMN1; SMN2 (0.56) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL9861732 0.89 SMN1; SMN2 (0.53) MAPTRAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL19133390 0.84 TDP1 (0.49) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL21071153 0.83 MAPT (0.54) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL14764990 0.82 TDP1 (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL1148690 0.82 MAPT (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL8269374 0.82 TDP1 (0.53) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1

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