SCHEMBL7773542

SCHEMBL7773542

Nc1c(C(=O)O)cccc1-n1cccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.53
CASP7 P55210 1/20 0.53
CASP6 P55212 1/20 0.53
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP2 P08253 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.41
MYC P01106 2/20 0.41

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
SCHEMBL7780279 0.80 IDO1 (0.49) G6PDCASP7CASP6ALDH1A1CYP2C9
SCHEMBL29671348 0.80 ALDH1A1 (0.61) ALDH1A1ALOX15CYP2C9CYP2C19GAA
SCHEMBL228778 0.80 ALDH1A1 (0.61) ALDH1A1ALOX15CYP2C9CYP2C19GAA
SCHEMBL7441090 0.79 ALDH1A1 (0.50) G6PDCASP7CASP6ALDH1A1ALOX15
Lithium SCHEMBL31310856 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15CYP2C9CYP2C19GAA
SCHEMBL11173849 0.78 MYC (0.51) ALDH1A1ALOX15CYP2C9CYP2C19KDM4E
SCHEMBL29517255 0.78 LMNA (0.49) ALDH1A1ALOX15CYP2C9CYP2C19GAA
SCHEMBL526919 0.77 G6PD (0.74) G6PDCASP7CASP6ALDH1A1ALOX15
SCHEMBL27795747 0.76 KDM4E (0.50) G6PDCASP7CASP6ALDH1A1ALOX15
SCHEMBL3790794 0.76 ALDH1A1 (0.54) CASP7ALDH1A1ALOX15GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 EP disclosed
US-5981749-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-11-09 US disclosed
US-5973145-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-26 US disclosed
US-5795984-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-18 US disclosed
EP-0781767-A1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed