SCHEMBL11136396

SCHEMBL11136396

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ LMNA P02545 4/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ MAPT P10636 6/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ GSTO1 P78417 1/20 0.56
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ ROCK1 Q13464 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ROCK2 O75116 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53

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
SCHEMBL11142941 0.92 RAB9A (0.57) SMN1; SMN2LMNARAB9AMAPTMAPK1
Tioxamast SCHEMBL2111615 0.90 LMNA (0.67) SMN1; SMN2LMNARAB9AMAPTMAPK1
SCHEMBL11120333 0.88 PARP1 (0.59) RAB9AMAPTALDH1A1NPC1GSTO1
SCHEMBL11136414 0.86 MAPT (0.46) SMN1; SMN2LMNARAB9AMAPTMAPK1
SCHEMBL11139163 0.85 APP (0.61) SMN1; SMN2LMNARAB9AMAPTMAPK1
SCHEMBL11144373 0.85 KMT2A (0.61) SMN1; SMN2LMNAMAPTMAPK1ALDH1A1
SCHEMBL11133564 0.85 MAPT (0.54) SMN1; SMN2LMNARAB9AMAPTMAPK1
SCHEMBL10922779 0.83 GSTO1 (0.74) SMN1; SMN2LMNARAB9AMAPTMAPK1
SCHEMBL11143638 0.81 PARP1 (0.53) RAB9AMAPTALDH1A1NPC1KMT2A
SCHEMBL11137105 0.81 PARP1 (0.55) RAB9AMAPTMAPK1NPC1MEN1

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 3 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 claimed
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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