SCHEMBL11359679

SCHEMBL11359679

O=C(S)N(SC1CCCCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
PAX8 Q06710 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GAA P10253 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL11288778 0.87 ALDH1A1 (0.43) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11293022 0.87 ALDH1A1 (0.43) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11353342 0.87 ALDH1A1 (0.43) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11276019 0.86 ALDH1A1 (0.40) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11276466 0.86 ALDH1A1 (0.40) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11291463 0.85 ALDH1A1 (0.41) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11271271 0.84 KEAP1 (0.39) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11359698 0.80 GAA (0.43) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11358324 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM
SCHEMBL11246208 0.79 PKM (0.40) ALDH1A1KMT2ARAB9ASMN1; SMN2PKM

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-0008177-B1 VULCANIZABLE RUBBER COMPOSITIONS CONTAINING SUBSTITUTED CARBAMIC ACID ESTERS MONSANTO COMPANY (US) 1981-08-26 EP disclosed
EP-0008177-A1 Vulcanizable rubber compositions containing substituted carbamic acid esters MONSANTO COMPANY (US) 1980-02-20 EP disclosed
US-4156680-A Scorch inhibited vulcanizable rubber compositions containing carbamic acid esters MONSANTO COMPANY (US) 1979-05-29 US disclosed