SCHEMBL11306732

SCHEMBL11306732

CN(C)C(=S)SC(=S)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.49
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MCL1 Q07820 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
Bis(Dimethylaminethiocarbonyl)Monosulfide SCHEMBL28276116 0.78 ALDH1A1 (0.50) SIGMAR1ALDH1A1LMNAHTTMGLL
SCHEMBL3069182 0.73 SIGMAR1 (0.53) SIGMAR1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL6743206 0.72 SIGMAR1 (0.51) SIGMAR1ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL8751779 0.72 ALDH1A1 (0.52) ALDH1A1LMNAHTTMGLLKMT2A
SCHEMBL3082138 0.72 SIGMAR1 (0.48) SIGMAR1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL16628535 0.70 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAKMT2AL3MBTL1
Potassium Ion SCHEMBL16628603 0.70 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL16628405 0.70 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAKMT2AL3MBTL1
Zinc Ion SCHEMBL11581561 0.70 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL16628473 0.70 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAKMT2AL3MBTL1

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
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 — — US claimed
US-4250083-A A STYRENATED DIPHENYLAMINE PRESENT DURING EMULSION POLYMERIZATION FOLLOWED BY PEPTIZATION; STORAGE STABILITY DENKA CHEMICAL CORPORATION (US) 1981-02-10 — — US disclosed
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 — — US disclosed
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