Pyridine

Pyridine

SCHEMBL28291031

c1ccc(CNn2cccc2)cc1.c1ccncc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.42
FABP6 P51161 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LTA4H P09960 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TBXAS1 P24557 1/20 0.38
QPCT Q16769 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
QPCTL Q9NXS2 1/20 0.38

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
SCHEMBL4903414 0.88 IDO1 (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8522936 0.81 CYP1A2 (0.60) ALDH1A1MAPTGAALTA4HCYP1A2
Hydrochloric Acid SCHEMBL27571472 0.76 CYP3A4 (0.49) MAPTCYP1A2POLBCYP3A4CYP2D6
Pyridine SCHEMBL9737571 0.76 CYP1A2 (0.61) FABP1FABP6ALDH1A1MAPTGAA
Pyridine SCHEMBL28164662 0.74 ALDH1A1 (0.50) FABP1FABP6ALDH1A1MAPTGAA
SCHEMBL27878193 0.72 CYP2C19 (0.56) ALDH1A1MAPTGAAMEN1KMT2A
N-Benzylmethylamine SCHEMBL28510182 0.72 MAPT (0.71) FABP1FABP6ALDH1A1MAPTGAA
N-Benzylmethylamine SCHEMBL28393762 0.71 MAPT (0.75) FABP1FABP6ALDH1A1MAPTGAA
Pyridine SCHEMBL27715231 0.71 CYP11B1 (0.60) ALDH1A1MAPTCYP1A2POLBCYP3A4
SCHEMBL3996745 0.69 CYP19A1 (0.45) FABP1FABP6ALDH1A1MAPTMEN1

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-109810096-A Pyridine benzylamine compound and preparation method and applications 陈晖� 2019-05-28 CN claimed