SCHEMBL11141185

SCHEMBL11141185

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.54
▸ MAPT P10636 6/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ELOVL1 Q9BW60 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ S1PR2 O95136 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NR2F2 P24468 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL11139118 0.85 PARP1 (0.69) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL11120333 0.84 PARP1 (0.59) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL11140728 0.84 NPC1 (0.62) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL11137105 0.83 PARP1 (0.55) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL11141502 0.82 ELOVL1 (0.60) PARP1MAPTRAB9ANPC1CASP3
SCHEMBL11143638 0.82 PARP1 (0.53) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL11136421 0.81 POLB (0.57) PARP1MAPTRAB9ANPC1CASP3
SCHEMBL11135249 0.77 ROCK2 (0.54) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10921715 0.77 MAPT (0.72) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10352164 0.76 MAPT (0.62) PARP1MAPTKMT2ARAB9ANPC1

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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