SCHEMBL11218440

SCHEMBL11218440

C=C(OC(=C)n1ncc(-c2ccccc2)n1)n1ncc(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 7/20 0.40
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ DAGLB Q8NCG7 3/20 0.36
▸ DDHD2 O94830 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FYN P06241 3/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ LDHA P00338 1/20 0.32

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
SCHEMBL11199840 0.84 DAGLA (0.42) DAGLAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL9418749 0.70 KMT2A (0.43) DAGLAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL22901703 0.66 DAGLA (0.63) DAGLAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL7918782 0.66 KMT2A (0.52) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL17279823 0.64 KDM4E (0.56) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL31300267 0.63 NOS1 (0.43) DAGLAKMT2A
SCHEMBL11813984 0.63 HSD17B10 (0.44) DAGLASMN1; SMN2RAB9ANPC1HPGD
SCHEMBL29009124 0.63 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL7061585 0.63 KMT2A (0.41) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL28883975 0.63 KMT2A (0.41) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079856-A1 Microbicidal triazolyl-vinyl esters CIBA-GEIGY AG (CH) 1983-05-25 — — EP disclosed
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