SCHEMBL27578290

SCHEMBL27578290

NC1COCCN1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PLD1 Q13393 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ MTOR P42345 3/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL2127456 0.81 ATR (0.55) KDM4EALDH1A1HPGDHSD17B10PDE4D
SCHEMBL28539899 0.81 ATR (0.55) KDM4EALDH1A1HPGDHSD17B10PDE4D
SCHEMBL29442179 0.81 ATR (0.55) KDM4EALDH1A1HPGDHSD17B10PDE4D
SCHEMBL28539901 0.81 ATR (0.55) KDM4EALDH1A1HPGDHSD17B10PDE4D
SCHEMBL27517643 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10PLD1
SCHEMBL10880845 0.75 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10PIK3C3
SCHEMBL5482822 0.74 KDM4E (0.42) KDM4EALDH1A1HSD17B10PLD1GRIN2D
SCHEMBL30080532 0.74 HSD17B10 (0.46) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27866890 0.71 CHRNB2 (0.41) ATRMTORPIK3C3
SCHEMBL22326 0.71 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10PLD1

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
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 — — CN disclosed
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