SCHEMBL9428043

SCHEMBL9428043

O=C(O)C(c1ccccc1)c1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
MAPK1 P28482 1/20 0.67
ALOX5 P09917 9/20 0.64
EPHX2 P34913 7/20 0.64
KMT2A Q03164 3/20 0.61
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL8626714 0.85 NPC1 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL8626737 0.85 NPC1 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL8622647 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL8622668 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9427951 0.84 NPC1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9564300 0.81 ALOX5 (0.67) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9590136 0.81 ALOX5 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL9585158 0.81 ALOX5 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL8769691 0.79 EPHX2 (0.84) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364944-A Antiinflammatory, antiallergic and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-15 US disclosed
US-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US disclosed
US-5071988-A Antiu lcer agents, antiallergens cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-10 US disclosed