SCHEMBL8727074

SCHEMBL8727074

S=C(S)N(Cc1ccccc1)Cc1ccccc1.SCCS

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.55
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL319904 0.94 MGLL (0.61) MGLLALDH1A1GAATSHRLMNA
SCHEMBL28815761 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL22638105 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL19834325 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL17223798 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL28773587 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL7875605 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL28815435 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL29057842 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA
SCHEMBL27609138 0.92 MGLL (0.59) MGLLALDH1A1GAATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5717038-A CROSSLINKING RUBBER WITH 1,2-BIS(N,N-DIBENZYLTHIOCARBAMOYLDISULFIDO)ETHANE BAYER AKTIENGESELLSCHAFT (DE) 1998-02-10 — — US claimed
EP-0432405-B1 Highly stable tyre sidewalls and method of manufacturing the same HUELS CHEMISCHE WERKE AG (DE) 1995-04-05 — — EP claimed
EP-0432417-B1 Tyre treads with an increased running performance, and method of manufacturing the same HUELS CHEMISCHE WERKE AG (DE) 1995-01-11 — — EP claimed
US-5717038-A CROSSLINKING RUBBER WITH 1,2-BIS(N,N-DIBENZYLTHIOCARBAMOYLDISULFIDO)ETHANE BAYER AKTIENGESELLSCHAFT (DE) 1998-02-10 — — US disclosed
US-5717038-A CROSSLINKING RUBBER WITH 1,2-BIS(N,N-DIBENZYLTHIOCARBAMOYLDISULFIDO)ETHANE BAYER AKTIENGESELLSCHAFT (DE) 1998-02-10 — — US disclosed
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