SCHEMBL5375586

SCHEMBL5375586

C[C@H](Nc1cc(N)ccc1C=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TYR P14679 1/20 0.35
ALOX5 P09917 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
MAPT P10636 5/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NQO2 P16083 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
MMP12 P39900 2/20 0.32
MMP13 P45452 2/20 0.32

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
SCHEMBL1767594 0.79 LMNA (0.44) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1767595 0.79 LMNA (0.44) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL9404760 0.78 CA1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4650108 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21558734 0.70 GSK3B (0.38) ALDH1A1TYRALOX5MAPTCYP2C9
SCHEMBL239301 0.70 MAPT (0.47) ALDH1A1ITGB1ITGA5MAPTCYP2C9
SCHEMBL239300 0.70 MAPT (0.47) ALDH1A1ITGB1ITGA5MAPTCYP2C9
Water SCHEMBL9435219 0.68 MAPT (0.45) ALDH1A1ITGB1ITGA5MAPTCYP2C9
SCHEMBL9706327 0.68 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11441110 0.68 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271253-B1 Safe process for the preparation of balsalazide APOTEX PHARMACHEM INC. (CA) 2007-09-18 US claimed