SCHEMBL7778010

SCHEMBL7778010

CCCN(CCC)c1cccc(C(=O)O)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51
TP53 P04637 1/20 0.42
HCAR3 P49019 3/20 0.40
MMP2 P08253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MYC P01106 1/20 0.37
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
CLCN2 P51788 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7773541 0.91 G6PD (0.49) G6PDCASP7CASP6TP53MMP2
SCHEMBL8291059 0.87 TP53 (0.42) G6PDCASP7CASP6TP53HCAR3
SCHEMBL7780416 0.87 G6PD (0.55) G6PDCASP7CASP6TP53HCAR3
SCHEMBL4086031 0.83 TP53 (0.52) TP53HCAR3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4410630 0.78 TP53 (0.48) TP53HCAR3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7778033 0.78 G6PD (0.60) G6PDCASP7CASP6TP53MMP2
SCHEMBL6527883 0.76 G6PD (0.50) G6PDCASP7CASP6MMP2SMN1; SMN2
SCHEMBL28877587 0.76 GABRA1 (0.38) ALDH1A1GAACRHR1
SCHEMBL341842 0.74 TP53 (0.46) TP53HCAR3SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6569152 0.74 TSHR (0.57) TP53HCAR3SMN1; SMN2L3MBTL1ALDH1A1

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