SCHEMBL11142941

SCHEMBL11142941

CCOCCOC(=O)C(=O)Nc1nc(-c2ccc(OCC)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.57
▸ POLB P06746 1/20 0.57
▸ LMNA P02545 5/20 0.55
▸ MAPK1 P28482 5/20 0.55
▸ ALOX5 P09917 1/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ UBE2N P61088 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ROCK1 Q13464 2/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ GSTO1 P78417 1/20 0.46

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
SCHEMBL11136396 0.92 SMN1; SMN2 (0.61) RAB9ALMNAMAPK1SMN1; SMN2KMT2A
SCHEMBL11120333 0.88 PARP1 (0.59) RAB9APOLBKMT2ANPC1MEN1
SCHEMBL11136414 0.86 MAPT (0.46) RAB9APOLBLMNAMAPK1SMN1; SMN2
SCHEMBL11133595 0.83 RAB9A (0.64) RAB9APOLBLMNAMAPK1ALOX5
Tioxamast SCHEMBL2111615 0.81 LMNA (0.67) RAB9ALMNAMAPK1SMN1; SMN2KMT2A
SCHEMBL11143638 0.81 PARP1 (0.53) RAB9APOLBKMT2ANPC1MAPT
SCHEMBL11137105 0.81 PARP1 (0.55) RAB9APOLBMAPK1KMT2ANPC1
SCHEMBL11136421 0.80 POLB (0.57) RAB9APOLBLMNAMAPK1NPC1
SCHEMBL10519957 0.79 PARP1 (0.49) RAB9APOLBLMNAMAPK1SMN1; SMN2
SCHEMBL11144373 0.79 KMT2A (0.61) LMNAMAPK1SMN1; SMN2KMT2ARXFP1

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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