SCHEMBL27993157

SCHEMBL27993157

CCNc1nc(NC(=O)c2c(F)cccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TRPA1 O75762 2/20 0.43
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTR1F P30939 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 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
SCHEMBL27993161 0.86 PGK1 (0.45) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL27993164 0.80 KMT2A (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL27993499 0.79 CYP1A2 (0.49) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27993155 0.79 CYP1A2 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11651996 0.77 PGK1 (0.50) MAPT
SCHEMBL5743844 0.73 PGK1 (0.49) KMT2AMAPTLMNAALDH1A1POLB
SCHEMBL27993563 0.73 CYP3A4 (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL27986798 0.73 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14319835 0.71 MEN1 (1.00) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5234546 0.71 KCNMA1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1

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-104163791-A N-pyridine (hetero) aryl amide compound and preparation method and application thereof HUNAN RES INST CHEMICAL IND 2014-11-26 CN claimed
CN-104163791-A N-pyridine (hetero) aryl amide compound and preparation method and application thereof HUNAN RES INST CHEMICAL IND 2014-11-26 CN disclosed