SCHEMBL31574400

SCHEMBL31574400

O=C(O)c1c(O)ncc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
TTR P02766 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALK Q9UM73 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
DHODH Q02127 5/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C8 P10632 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10766033 0.83 DPP4 (0.42) DPP4AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL10760359 0.82 DPP4 (0.41) DPP4TTRMEN1KMT2AALK
SCHEMBL31574399 0.82 SIRT6 (0.38) DPP4AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL10765814 0.80 DPP4 (0.39) DPP4TTRMEN1KMT2AALK
SCHEMBL10765197 0.80 DPP4 (0.39) DPP4MEN1KMT2ANAPRTALDH1A1
SCHEMBL10760271 0.77 ALDH1A1 (0.58) DPP4MEN1KMT2AALDH1A1TDP1
SCHEMBL9150832 0.75 KDM4E (0.41) DPP4AKR1C2AKR1C1KMT2ANAPRT
SCHEMBL10762405 0.71 DPP4 (0.52) DPP4ALKNAPRTALDH1A1KDM4E
SCHEMBL31071678 0.71 MEN1 (0.44) DPP4AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL28984987 0.71 MEN1 (0.44) DPP4AKR1C2AKR1C1AKR1C4AKR1C3

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-119985732-A Detection analysis method and application of pyridine compounds in 2-pyridones 四川科伦药物研究院有限公司 2025-05-13 CN claimed
CN-119985732-A Detection analysis method and application of pyridine compounds in 2-pyridones 四川科伦药物研究院有限公司 2025-05-13 CN disclosed