SCHEMBL13929503

SCHEMBL13929503

COCCCNc1nc(NCCCOC)c(/N=N/c2ncn(-c3nc4ccccc4s3)n2)c(C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ ILK Q13418 1/20 0.35
▸ KDM4E B2RXH2 8/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ POLB P06746 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL13929081 0.89 ALDH1A1 (0.38) MAPTILKKDM4EALDH1A1HPGD
SCHEMBL13610092 0.84 KDM4E (0.31) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13929530 0.83 KDM4E (0.35) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL13610047 0.82 MAPT (0.34) MAPTKDM4EALDH1A1POLBHPGD
SCHEMBL13610087 0.81 TP53 (0.30) SMN1; SMN2
SCHEMBL13929082 0.79 ALDH1A1 (0.32) MAPTKDM4EALDH1A1POLBHPGD
SCHEMBL13610089 0.73 ALDH1A1 (0.32) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL13311038 0.73 MAPT (0.36) MAPTKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL13929502 0.71 CCNA2 (0.41) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL13310999 0.71 MAPT (0.35) MAPTILKKDM4EALDH1A1POLB

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-2039726-A2 Azo pigment and pigment dispersion FUJIFILM Corporation (JP) 2009-03-25 — — EP disclosed
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