SCHEMBL27677131

SCHEMBL27677131

C=C(C)C(=O)N(C)Cc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.56
▸ HSD11B1 P28845 8/20 0.52
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LIPE Q05469 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL21400322 0.83 RIPK1 (0.62) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL6122487 0.78 RIPK1 (0.60) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL6664765 0.77 RIPK1 (0.56) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL12313812 0.77 RIPK1 (0.63) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL3323893 0.75 RIPK1 (0.75) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL13870657 0.75 RIPK1 (0.57) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL9668325 0.75 RIPK1 (0.57) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL6123067 0.74 POLB (0.62) RIPK1TRPM8POLBTDP1NPSR1
SCHEMBL9906097 0.73 ALDH1A1 (0.47) RIPK1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL3322473 0.73 RIPK1 (0.62) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001912-B Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO 2010-11-17 — — CN disclosed
CN-101001912-A Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO (JP) 2007-07-18 — — CN disclosed
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