SCHEMBL29664801

SCHEMBL29664801

CN(c1ccccc1)c1nc(Nc2ccccc2)nc(OC#N)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CFTR P13569 2/20 0.42
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSK P43235 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
SCHEMBL14264133 0.82 ALDH1A1 (0.66) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL14264134 0.82 ALDH1A1 (0.71) ALDH1A1MAPTKMT2ALMNAALOX15
SCHEMBL31398568 0.75 KMT2A (0.62) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL30568815 0.75 KMT2A (0.62) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL21914451 0.74 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL6237023 0.73 ADORA2A (0.53) KMT2AMEN1ADORA2ACTSK
SCHEMBL30568797 0.73 KCNH3 (0.71) ALDH1A1POLBKMT2AKCNH3CTSK
SCHEMBL14118013 0.72 KMT2A (0.54) ALDH1A1POLBMAPTKMT2AALOX15
SCHEMBL17042548 0.72 MERTK (0.44) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL14389317 0.71 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMAPK1KCNH3

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
WO-2022124130-A1 COPPER-CLAD LAMINATED BOARD AND PRINTED WIRING BOARD 三菱瓦斯化学株式会社 2022-06-16 WO disclosed