Pyridine

Pyridine

SCHEMBL28977412

CC(C)(C)c1cccc(C=O)c1O.c1ccncc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.51
CA2 P00918 2/20 0.48
ERN1 O75460 7/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 4/20 0.39
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
CA1 P00915 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35

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
SCHEMBL31587806 0.88 ALOX12 (0.62) ALOX12CA2ERN1GABRA1GABRB2
SCHEMBL173039 0.88 ALOX12 (0.62) ALOX12CA2ERN1GABRA1GABRB2
SCHEMBL28347803 0.78 ALOX12 (0.51) ALOX12CA2ERN1GABRA1GABRB2
SCHEMBL1685290 0.74 ERN1 (0.47) ALOX12CA2ERN1TLR2TLR1
SCHEMBL14198061 0.73 ALOX12 (0.61) ALOX12CA2ERN1GABRA1GABRB2
SCHEMBL27850960 0.73 ALOX12 (0.43) ALOX12CA2ERN1GABRA1GABRB2
SCHEMBL4242419 0.72 ERN1 (0.48) ALOX12CA2ERN1GABRA1GABRB2
Formic Acid SCHEMBL25296964 0.72 CA2 (0.77) ALOX12CA2GABRA1GABRB2NPSR1
SCHEMBL27724914 0.71 ALOX12 (0.54) ALOX12CA2GABRA1GABRB2NPSR1
Benzene SCHEMBL3767076 0.71 CA2 (0.94) ALOX12CA2GABRA1GABRB2NPSR1

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-115894347-A Salen ligand-based tetranuclear cobalt complex, and preparation method and application thereof 广西师范大学 2023-04-04 CN claimed
CN-115894347-A Salen ligand-based tetranuclear cobalt complex, and preparation method and application thereof 广西师范大学 2023-04-04 CN disclosed