SCHEMBL10997160

SCHEMBL10997160

CCc1cccc(C)c1NC(=O)N=C1SCCN1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.56
▸ NLRP3 Q96P20 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 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
SCHEMBL10997158 1.00 GRM5 (0.56) GRM5NLRP3HTTMEN1KMT2A
SCHEMBL10995246 0.93 GRM5 (0.60) GRM5NLRP3HTTMEN1KMT2A
SCHEMBL10995242 0.93 GRM5 (0.60) GRM5NLRP3HTTMEN1KMT2A
SCHEMBL10993124 0.90 GRM5 (0.62) GRM5HTTMEN1KMT2APOLB
SCHEMBL10993126 0.90 GRM5 (0.62) GRM5HTTMEN1KMT2APOLB
SCHEMBL10998555 0.87 NLRP3 (0.44) GRM5NLRP3HTTMEN1KMT2A
SCHEMBL10992172 0.85 GRM5 (0.63) GRM5POLBRAB9A
SCHEMBL10992189 0.85 GRM5 (0.63) GRM5POLBRAB9A
SCHEMBL10991240 0.83 GRM5 (0.55) GRM5MEN1KMT2ANPSR1POLB
SCHEMBL10990477 0.82 GRM5 (0.54) GRM5NLRP3MEN1KMT2ANPSR1

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
US-4542144-A EPILEPSY MCNEILAB INC. (US) 1985-09-17 — — US claimed
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