SCHEMBL28116516

SCHEMBL28116516

CC(=O)C(C(=O)O)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.43
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
GAA P10253 2/20 0.37
ALPI P09923 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KYNU Q16719 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PTGS2 P35354 1/20 0.36
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP2D6 P10635 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
SCHEMBL2208871 0.88 SRC (0.50) SRCMAPTPKMGAAALPI
SCHEMBL869693 0.80 ALDH1A1 (0.47) SRCMAPTPKMGAAPTGS1
SCHEMBL21753694 0.77 ALOX15 (0.41) SRCMAPTGAAALDH1A1KYNU
SCHEMBL23581315 0.77 SRC (0.43) SRCMAPTALDH1A1MEN1CRHBP
SCHEMBL8209123 0.77 CES2 (0.44) SRCGAAMEN1KMT2ALMNA
SCHEMBL29741549 0.77 SRC (0.43) SRCMAPTALDH1A1MEN1CRHBP
SCHEMBL8209137 0.77 CXCL8 (0.44) SRCMAPTGAAALDH1A1MEN1
SCHEMBL5982890 0.76 LMNA (0.40) SRCSLC7A5ALDH1A1KYNUCFTR
SCHEMBL24355546 0.76 CA1 (0.39) MAPTGAAALDH1A1KDM4ECFTR
SCHEMBL24355543 0.76 CA1 (0.39) MAPTGAAALDH1A1KDM4ECFTR

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-106278925-B A kind of preparation method of Antirheumatic Drug Actarit 平光制药股份有限公司 2019-01-25 CN disclosed
CN-106278925-A A kind of preparation method of Antirheumatic Drug Actarit 平光制药股份有限公司 2017-01-04 CN disclosed