SCHEMBL7780416

SCHEMBL7780416

CCN(CC)c1cccc(C(=O)O)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 1/20 0.42
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
ABCC1 P33527 1/20 0.39
MYC P01106 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HCAR3 P49019 1/20 0.38

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
SCHEMBL7778010 0.87 G6PD (0.51) G6PDCASP7CASP6TP53KMT2A
SCHEMBL7773541 0.84 G6PD (0.49) G6PDCASP7CASP6TP53KMT2A
Hydrazine SCHEMBL27419993 0.82 TP53 (0.50) HTTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL1668024 0.82 TP53 (0.53) HTTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL30274134 0.81 TP53 (0.45) HTTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL31339541 0.81 ALDH1A1 (0.52) G6PDCASP7CASP6HTTTP53
SCHEMBL11308650 0.81 ALDH1A1 (0.52) G6PDCASP7CASP6HTTTP53
SCHEMBL11522678 0.81 TP53 (0.45) HTTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL7778033 0.80 G6PD (0.60) G6PDCASP7CASP6TP53SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27451904 0.80 TP53 (0.51) HTTTP53KMT2AMEN1SMN1; 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 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