SCHEMBL11199840

SCHEMBL11199840

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 3/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ IDO1 P14902 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ FYN P06241 3/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33

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
SCHEMBL11218440 0.84 DAGLA (0.40) DAGLAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL9418749 0.74 KMT2A (0.43) DAGLAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL22901703 0.70 DAGLA (0.63) DAGLAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL7918782 0.69 KMT2A (0.52) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL17279823 0.68 KDM4E (0.56) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL11813984 0.67 HSD17B10 (0.44) DAGLASMN1; SMN2RAB9ANPC1HPGD
SCHEMBL29009124 0.67 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL30435192 0.67 KMT2A (0.40) DAGLAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL7061585 0.67 KMT2A (0.41) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL28883975 0.67 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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