SCHEMBL23045127

SCHEMBL23045127

Cc1cc(C(=S)S)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ TAS2R8 Q9NYW2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TNF P01375 1/20 0.30

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
SCHEMBL14800091 0.79 GAA (0.38) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL27637077 0.74 SMN1; SMN2 (0.48) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL334463 0.72 SMN1; SMN2 (0.47) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL286931 0.72 KDM4E (0.58) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL13982847 0.72 LMNA (0.40) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11982018 0.72 SMN1; SMN2 (0.39) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL387324 0.71 SMN1; SMN2 (0.46) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL2338097 0.71 SMN1; SMN2 (0.46) GAASMN1; SMN2ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL9680540 0.71 KDM4E (0.56) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL15149755 0.71 NOS1 (0.38) GAASMN1; SMN2ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021039396-A1 RUBBER COMPOSITION, VULCANIZED PRODUCT, AND VULCANIZED MOLDED ARTICLE デンカ株式会社 2021-03-04 — — WO disclosed
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