SCHEMBL27987244

SCHEMBL27987244

NCc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 8/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ LMNA P02545 3/20 0.48
▸ RAB9A P51151 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17743754 0.82 GAA (0.65) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL1476618 0.82 DEGS1 (0.64) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL20569301 0.82 CYP1A2 (0.66) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL27986797 0.77 MEN1 (0.43) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL27987224 0.76 MEN1 (0.47) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15971858 0.76 GAA (0.66) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL22557301 0.76 CYP1A2 (0.70) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL30753576 0.76 CYP1A2 (0.70) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL27472640 0.76 CYP1A2 (0.66) CYP1A2GAAMAPTSMN1; SMN2MEN1
SCHEMBL13784015 0.74 CYP1A2 (0.71) CYP1A2GAAMAPTSMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104163792-A N-picolinamide compound, preparation method and application thereof HUNAN RES INST CHEMICAL IND 2014-11-26 — — CN claimed
CN-104163792-A N-picolinamide compound, preparation method and application thereof HUNAN RES INST CHEMICAL IND 2014-11-26 — — CN disclosed
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