Pyridine

Pyridine

SCHEMBL28512949

C=C(NC)C(=O)OCC.c1ccncc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 2/20 0.35
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
CASP1 P29466 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL515573 0.84
Pyridine SCHEMBL8128217 0.82 ALDH1A1 (0.46) ALDH1A1MAPTTSHRMEN1KMT2A
Pyridine SCHEMBL8119711 0.81 THRB (0.52) ALDH1A1MAPTTSHRMEN1KMT2A
Pyridine SCHEMBL8129309 0.78 ALDH1A1 (0.42) ALDH1A1MAPTTSHRMEN1KMT2A
Pyridine SCHEMBL29165993 0.75 SMN1; SMN2 (0.42) ALDH1A1MAPTTSHRKMT2ACYP1A2
Pyridine SCHEMBL27786003 0.75 MEN1 (0.41) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL23045253 0.72 TSHR (0.42) ALDH1A1TSHRGAATDP1CYP2D6
Ethyl Acetate SCHEMBL902253 0.72 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2ACYP1A2
Ethyl Acetate SCHEMBL11599396 0.72 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2ACYP1A2
Ethyl Acetate SCHEMBL11661625 0.72 ALDH1A1 (0.61) ALDH1A1TSHRMEN1KMT2ACYP1A2

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-112279984-B Method for preparing catalytic nano microsphere by polymerization-induced self-assembly 浙江理工大学 2023-05-09 CN disclosed
CN-112279984-A Method for preparing catalytic nano-microspheres by polymerization-induced self-assembly 浙江理工大学 2021-01-29 CN disclosed