Isonicotinic Acid

Isonicotinic Acid

SCHEMBL28068524

Clc1ccccc1Cl.O=C(O)c1ccncc1

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.71
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TYK2 P29597 2/20 0.53
TSHR P16473 3/20 0.52
DAO P14920 1/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
PLOD2 O00469 1/20 0.52
PLOD3 O60568 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
PLOD1 Q02809 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.48

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
Isonicotinic Acid SCHEMBL1414914 0.84 NAPRT (1.00) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL1108 0.84
Biphenyl SCHEMBL9847045 0.83 NAPRT (0.77) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL8358038 0.82 NAPRT (0.85) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL25270920 0.82 NAPRT (0.94) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL25269381 0.82 NAPRT (0.94) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL25219686 0.82 NAPRT (0.94) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL25261208 0.82 NAPRT (0.94) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL15401690 0.82 NAPRT (0.94) NAPRTKMT2AMEN1TSHRDAO
Isonicotinic Acid SCHEMBL25222705 0.82 NAPRT (0.94) NAPRTKMT2AMEN1TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN claimed
CN-105685064-B Weeding isoxazoles simultaneously [5,4-b] pyridine 巴斯夫欧洲公司 2018-06-22 CN disclosed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN disclosed