SCHEMBL10994893

SCHEMBL10994893

Cc1ccc(C)c(NC(=O)N=C2SCCN2C)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.57
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL10994890 1.00 GRM5 (0.57) GRM5RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10994182 0.91 GRM5 (0.56) GRM5RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10994183 0.91 GRM5 (0.56) GRM5RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10992764 0.82 GRM5 (0.56) GRM5SMN1; SMN2POLBKMT2AMEN1
SCHEMBL10992762 0.82 GRM5 (0.56) GRM5SMN1; SMN2POLBKMT2AMEN1
SCHEMBL10996658 0.81 GRM5 (0.59) GRM5RAB9ANPC1KDM4EKMT2A
SCHEMBL10996662 0.81 GRM5 (0.59) GRM5RAB9ANPC1KDM4EKMT2A
SCHEMBL10993124 0.79 GRM5 (0.62) GRM5RAB9ANPC1KDM4EPOLB
SCHEMBL10993126 0.79 GRM5 (0.62) GRM5RAB9ANPC1KDM4EPOLB
SCHEMBL11233767 0.76 GRM5 (0.73) GRM5RAB9ANPC1KDM4ESMN1; SMN2

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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