SCHEMBL7780207

SCHEMBL7780207

CN(C)C(=O)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
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MMP2 P08253 1/20 0.46
KEAP1 Q14145 1/20 0.45
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 2/20 0.43
MYC P01106 3/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MASP2 O00187 1/20 0.41
NAPRT Q6XQN6 2/20 0.40
CXCR2 P25025 1/20 0.39
NR4A1 P22736 2/20 0.38
TSHR P16473 1/20 0.38
NR4A2 P43354 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
SCHEMBL526919 0.83 G6PD (0.74) G6PDCASP7CASP6MEN1KMT2A
SCHEMBL8082335 0.82 MEN1 (0.47) G6PDCASP7CASP6MEN1KMT2A
SCHEMBL28281319 0.81 G6PD (0.71) G6PDCASP7CASP6MEN1KMT2A
SCHEMBL30806223 0.81 G6PD (0.71) G6PDCASP7CASP6MEN1KMT2A
SCHEMBL8828492 0.81 SMN1; SMN2 (0.46) G6PDCASP7CASP6MEN1KMT2A
SCHEMBL1018643 0.79 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
Methoxymethane SCHEMBL5903652 0.79 G6PD (0.63) G6PDCASP7CASP6SMN1; SMN2MMP2
SCHEMBL7459410 0.79 MEN1 (0.44) G6PDCASP7CASP6MEN1KMT2A
SCHEMBL18007540 0.79 MEN1 (0.44) G6PDCASP7CASP6MEN1KMT2A
SCHEMBL3814542 0.79 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1

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