SCHEMBL10712232

SCHEMBL10712232

O=C(OCc1ccccc1)C1SCCN1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FOLH1 Q04609 2/20 0.44
PREP P48147 1/20 0.42
FKBP1A P62942 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ABCB1 P08183 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10714474 0.82 SMN1; SMN2 (0.42) KMT2APREPFKBP1ANPC1RAB9A
SCHEMBL10711258 0.80 KMT2A (0.43) KMT2ASLC6A2SLC6A3TDP1FOLH1
SCHEMBL10712263 0.79 ALDH1A1 (0.49) KMT2ASMN1; SMN2ALDH1A1L3MBTL1CYP2C19
SCHEMBL10941237 0.77 NPC1 (0.53) KMT2APREPNPC1RAB9ASMN1; SMN2
SCHEMBL201387 0.74 SPHK2 (0.44) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL201386 0.74 SPHK2 (0.44) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6290040 0.73 MEN1 (0.44) KMT2ATDP1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6788577 0.73 FKBP1A (0.63) PREPFKBP1AALDH1A1
SCHEMBL6788581 0.73 FKBP1A (0.63) PREPFKBP1AALDH1A1
SCHEMBL10470152 0.72 PIK3CD (0.50) KMT2ASLC6A2SLC6A3TDP1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104495-B1 COMPOUNDS HAVING AN ANTIDOTE ACTIVITY FOR THE PROTECTION OF CULTIVATIONS OF AGRARIAN INTEREST FROM THE ACTION OF NONSELECTIVE HERBICIDES Montedison S.p.A. (IT) 1988-11-30 EP claimed
US-4628101-A PLANT SAFENING AGENTS MONTEDISON S.P.A. (IT) 1986-12-09 US claimed
EP-0104495-A2 Compounds having an antidote activity for the protection of cultivations of agrarian interest from the action of nonselective herbicides Montedison S.p.A. (IT) 1984-04-04 EP claimed
EP-0104495-B1 COMPOUNDS HAVING AN ANTIDOTE ACTIVITY FOR THE PROTECTION OF CULTIVATIONS OF AGRARIAN INTEREST FROM THE ACTION OF NONSELECTIVE HERBICIDES Montedison S.p.A. (IT) 1988-11-30 EP disclosed
US-4628101-A PLANT SAFENING AGENTS MONTEDISON S.P.A. (IT) 1986-12-09 US disclosed
EP-0104495-A2 Compounds having an antidote activity for the protection of cultivations of agrarian interest from the action of nonselective herbicides Montedison S.p.A. (IT) 1984-04-04 EP disclosed