SCHEMBL13901466

SCHEMBL13901466

CN1C(=O)c2cccc3c(C#N)ccc(c23)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ KEAP1 Q14145 4/20 0.59
▸ NFE2L2 Q16236 4/20 0.59
▸ USP2 O75604 4/20 0.59
▸ ATM Q13315 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ POLB P06746 5/20 0.56
▸ PRMT1 Q99873 1/20 0.56
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 3/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ PABPC1 P11940 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41

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
SCHEMBL9290440 0.88 PKM (0.53) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL28580109 0.82 MEN1 (0.60) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL20586425 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAPABPC1
SCHEMBL12869500 0.81 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL3285543 0.80 KMT2A (0.62) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL3291503 0.80 PARP1 (0.57) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL20735127 0.79 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL21609609 0.79 KMT2A (0.54) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL23312231 0.79 MEN1 (0.39) KMT2AMEN1ALDH1A1KDM4EKEAP1
SCHEMBL3285526 0.78 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4EKEAP1

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-1687278-B1 USE OF 4-CYANO-NAPHTHALENE-1, 8-DICARBOXIMIDE DERIVATIVES AND RELATED COMPOUNDS TO PROTECT ORGANIC MATERIAL FROM THE DAMAGING EFFECTS OF LIGHT BASF SE (DE) 2009-03-11 — — EP disclosed
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