SCHEMBL11564421

SCHEMBL11564421

CCOc1ccccc1/C=N/c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAOB P27338 3/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.39

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
SCHEMBL19624623 0.84 SMN1; SMN2 (0.52) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL11803784 0.84 ALDH1A1 (0.53) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL11803780 0.84 ALDH1A1 (0.53) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL19490690 0.81 SIRT2 (0.41) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL10533050 0.81 GAA (0.54) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL11312625 0.77 CYP3A4 (0.47) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL16620313 0.76 ALDH1A1 (0.47) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL16620314 0.76 ALDH1A1 (0.47) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL13971251 0.76 ALDH1A1 (0.47) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL2455473 0.75 KMT2A (0.51) KDM4EKMT2AALDH1A1MEN1HPGD

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-4154746-A FOR USE IN ELECTRO-OPTICAL DISPLAY DEVICES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-05-15 — — US disclosed
US-4105299-A PLEOCHROIC, DISPLAYS, LIQUID CRYSTALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-08-08 — — US disclosed
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