SCHEMBL9428275

SCHEMBL9428275

CC(O)c1ccc(-c2ccc(OCc3nc4ccccc4s3)cc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 3/20 0.57
PDE10A Q9Y233 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.48
ALOX5 P09917 8/20 0.47
EPHX2 P34913 6/20 0.47
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5AP P20292 1/20 0.42

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
SCHEMBL9428049 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2APDE10A
SCHEMBL9428243 0.85 PDE10A (0.49) NPC1RAB9ASMN1; SMN2KMT2APDE10A
SCHEMBL9427580 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2APDE10A
SCHEMBL9427711 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KMT2APDE10A
SCHEMBL9427664 0.79 PDE10A (0.53) NPC1RAB9ASMN1; SMN2KMT2APDE10A
SCHEMBL9428614 0.78 PDE10A (0.52) NPC1RAB9ASMN1; SMN2KMT2APDE10A
SCHEMBL9427951 0.76 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL9427782 0.73 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL9428008 0.73 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL9427636 0.72 ALOX5 (0.58) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1

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 2 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