SCHEMBL7778452

SCHEMBL7778452

Nc1c(C(=O)O)cccc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
PTPN1 P18031 2/20 0.50
G6PD P11413 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
IP6K1 Q92551 1/20 0.49
KDM4E B2RXH2 5/20 0.47
GAA P10253 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KEAP1 Q14145 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
GFER P55789 1/20 0.45
YWHAG P61981 1/20 0.45

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
SCHEMBL7778442 0.98 NPC1 (0.58) NPC1PTPN1G6PDCASP7CASP6
SCHEMBL26154619 0.85 ADRA2C (0.51) NPC1PTPN1G6PDCASP7CASP6
SCHEMBL26155527 0.85 ALDH1A1 (0.60) NPC1G6PDCASP7CASP6KDM4E
SCHEMBL7781079 0.85 KDM4E (0.49) NPC1G6PDCASP7CASP6KDM4E
SCHEMBL2505914 0.85 NPC1 (0.73) NPC1PTPN1KDM4EGAAL3MBTL1
SCHEMBL26154633 0.83 ALDH1A1 (0.50) NPC1G6PDCASP7CASP6IP6K1
SCHEMBL7778454 0.83 GAA (0.55) NPC1G6PDCASP7CASP6KDM4E
SCHEMBL29467270 0.82 NPC1 (0.68) NPC1PTPN1KDM4EGAAL3MBTL1
SCHEMBL2492855 0.82 NPC1 (0.68) NPC1PTPN1KDM4EGAAL3MBTL1
SCHEMBL26155552 0.82 ALDH1A1 (0.51) NPC1G6PDCASP7CASP6IP6K1

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 4 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-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