SCHEMBL13460442

SCHEMBL13460442

CBc1ccc(NC(=O)C2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ MAP4K4 O95819 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL27383392 0.83 ALDH1A1 (0.58) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7869933 0.81 KMT2A (0.58) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13460461 0.80 ALDH1A1 (0.55) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3093740 0.80 ALDH1A1 (0.55) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30799179 0.80 ALDH1A1 (0.55) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9940282 0.79 HPGD (0.69) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL25683364 0.79 KMT2A (0.61) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17845335 0.79 MEN1 (0.61) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3093727 0.77 CYP2C9 (0.61) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5198248 0.76 ALDH1A1 (0.51) NAMPTALDH1A1MEN1KMT2ALMNA

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-2010024356-A1 NOVEL HYDROXAMIC ACID DERIVATIVE HAVING NAPHTHYRIDINE-N-OXIDE 大正製薬株式会社 (JP) 2010-03-04 — — WO disclosed
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