SCHEMBL11137133

SCHEMBL11137133

COCC(C)OC(=O)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ ROCK2 O75116 2/20 0.56
▸ ROCK1 Q13464 2/20 0.56
▸ MAPT P10636 3/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ APP P05067 1/20 0.52
▸ ELOVL1 Q9BW60 1/20 0.51
▸ PHGDH O43175 1/20 0.51
▸ PARP1 P09874 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL11140728 0.83 NPC1 (0.62) RAB9ANPC1CASP3SENP7ROCK2
SCHEMBL11135249 0.80 ROCK2 (0.54) RAB9ANPC1CASP3SENP7ROCK2
SCHEMBL11139118 0.79 PARP1 (0.69) RAB9ANPC1CASP3SENP7MAPT
SCHEMBL10921715 0.78 MAPT (0.72) RAB9ANPC1MAPTADORA3MEN1
SCHEMBL11120333 0.76 PARP1 (0.59) RAB9ANPC1CASP3SENP7MAPT
SCHEMBL10429605 0.76 RAB9A (0.95) RAB9ANPC1CASP3SENP7MAPT
SCHEMBL11141502 0.76 ELOVL1 (0.60) RAB9ANPC1CASP3SENP7ROCK2
SCHEMBL11137105 0.76 PARP1 (0.55) RAB9ANPC1CASP3SENP7MAPT
SCHEMBL5780078 0.75 KMT2A (0.60) RAB9ANPC1CASP3SENP7MAPT
SCHEMBL11141216 0.75 MEN1 (0.59) RAB9ANPC1CASP3SENP7ROCK2

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
US-4407810-A TREATMENT OF ALLERGIC DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 — — US disclosed
EP-0044442-A1 N-(4-Phenyl-2-thiazolyl)-oxamidic-acid-2-ethoxyethylester, process for its preparation and pharmaceutical compositions containing this compound BASF Aktiengesellschaft (DE) 1982-01-27 — — EP disclosed
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