SCHEMBL27695347

SCHEMBL27695347

Cc1cc(C(=O)O)cc(C(=O)O)c1.O=c1ccccn1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.46
TPMT P51580 1/20 0.43
F10 P00742 9/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
EP300 Q09472 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
NR4A1 P22736 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL27636316 0.91 TPMT (0.48) HCAR1TPMTF10MAPTKMT2A
SCHEMBL142916 0.80 MEN1 (0.54) F10MAPTKMT2AALDH1A1TDP1
SCHEMBL505240 0.78 CA12 (0.53) F10TDP1HTT
Hydrochloric Acid SCHEMBL4747459 0.77 CA12 (0.51) F10TDP1HTT
SCHEMBL27749289 0.77 EP300 (0.37) TPMTF10MAPTKMT2AKDM4E
SCHEMBL92819 0.73 KDM4E (0.57) F10MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL28025799 0.72 NOTUM (0.44) F10MAPTKMT2AKDM4EALDH1A1
SCHEMBL17059032 0.71 COMT (0.49) HCAR1MAPTKDM4EALDH1A1SMN1; SMN2
Benzene SCHEMBL27458637 0.71 TPMT (0.84) HCAR1TPMTMAPTKDM4EALDH1A1
SCHEMBL6049982 0.71 KMT2A (0.53) F10MAPTKMT2AALDH1A1SMN1; SMN2

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-101484167-B The use of derviate of pyridone for preventing and treating radioactive injury of lungs SHANGHAI GENOMICS INC 2012-07-04 CN disclosed
CN-101484167-A The use of derviate of pyridone for preventing and treating radioactive injury of lungs SHANGHAI GENOMICS INC (CN) 2009-07-15 CN disclosed
CN-100358872-C The derivatives of pyridone and use thereof SHANGHAI GENOMICS INC (CN) 2008-01-02 CN disclosed