SCHEMBL11141502

SCHEMBL11141502

O=C(Nc1nc(-c2ccccc2)cs1)C(=O)OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 1/20 0.60
▸ ROCK1 Q13464 3/20 0.58
▸ ROCK2 O75116 2/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ PRKACA P17612 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ NPC1 O15118 2/20 0.54
▸ MAPT P10636 2/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ PARP1 P09874 2/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ GSTO1 P78417 1/20 0.52

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
SCHEMBL11139163 0.90 APP (0.61) ROCK1ROCK2RAB9APOLBNPC1
SCHEMBL11140728 0.88 NPC1 (0.62) ELOVL1ROCK1ROCK2RAB9APOLB
SCHEMBL11136421 0.87 POLB (0.57) ELOVL1RAB9APOLBNPC1MAPT
SCHEMBL11120333 0.86 PARP1 (0.59) ELOVL1RAB9APOLBNPC1MAPT
SCHEMBL11137105 0.85 PARP1 (0.55) ELOVL1RAB9APOLBNPC1MAPT
SCHEMBL11139118 0.84 PARP1 (0.69) ELOVL1RAB9APOLBNPC1MAPT
SCHEMBL11143638 0.83 PARP1 (0.53) ELOVL1RAB9APOLBNPC1MAPT
SCHEMBL11141185 0.82 PARP1 (0.54) ELOVL1RAB9APOLBNPC1MAPT
SCHEMBL10921715 0.80 MAPT (0.72) ELOVL1RAB9APOLBNPC1MAPT
SCHEMBL11135249 0.78 ROCK2 (0.54) ELOVL1ROCK1ROCK2RAB9APOLB

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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