SCHEMBL9040290

SCHEMBL9040290

CC(NC(C(=O)O)c1cccc(Cl)c1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GPR139 Q6DWJ6 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7055714 0.77 OPRM1 (0.44) SMN1; SMN2HPGDLMNAKMT2AMEN1
SCHEMBL6140943 0.77 OPRM1 (0.44) SMN1; SMN2HPGDLMNAKMT2AMEN1
SCHEMBL5673263 0.77 OPRM1 (0.44) SMN1; SMN2HPGDLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL5444914 0.76 OPRM1 (0.43) SMN1; SMN2HPGDLMNAMAPTNPSR1
Hydrochloric Acid SCHEMBL4846461 0.76 OPRM1 (0.43) SMN1; SMN2HPGDLMNAMAPTNPSR1
SCHEMBL8840349 0.73 ALOX5 (0.45) KEAP1HPGDLMNAKMT2AMEN1
SCHEMBL10441844 0.73 HPGD (0.64) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL8947244 0.71 ALOX5 (0.50) KEAP1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL10484390 0.69 ALOX5 (0.43) KEAP1HPGDKMT2AMEN1MAPT
SCHEMBL6630179 0.68 ALOX5 (0.42) SMN1; SMN2HPGDKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466569-B1 Process for preparation of N-phenylacetyl derivative of tetrahydrothieno[3,2-c]pyridine and intermediate of synthesis SANOFI SA (FR) 1996-04-17 EP claimed
EP-0466569-A1 Process for preparation of N-phenylacetyl derivative of tetrahydrothieno[3,2-c]pyridine and intermediate of synthesis SANOFI (FR) 1992-01-15 EP claimed
EP-0466569-B1 Process for preparation of N-phenylacetyl derivative of tetrahydrothieno[3,2-c]pyridine and intermediate of synthesis SANOFI SA (FR) 1996-04-17 EP disclosed
EP-0466569-A1 Process for preparation of N-phenylacetyl derivative of tetrahydrothieno[3,2-c]pyridine and intermediate of synthesis SANOFI (FR) 1992-01-15 EP disclosed