SCHEMBL13460461

SCHEMBL13460461

Bc1ccc(NC(=O)C2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ NAMPT P43490 2/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ HPGD P15428 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ MAPK8 P45983 2/20 0.46
▸ MAPK10 P53779 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46

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
SCHEMBL7869933 0.85 KMT2A (0.58) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL30799179 0.83 ALDH1A1 (0.55) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL3093740 0.83 ALDH1A1 (0.55) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL27383392 0.83 ALDH1A1 (0.58) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL9940282 0.83 HPGD (0.69) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3093727 0.81 CYP2C9 (0.61) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL5198248 0.80 ALDH1A1 (0.51) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL25683364 0.80 KMT2A (0.61) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL13460442 0.80 NAMPT (0.53) ALDH1A1NAMPTMEN1KMT2ALMNA
SCHEMBL17845335 0.80 MEN1 (0.61) ALDH1A1NAMPTMEN1KMT2ALMNA

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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