SCHEMBL9428243

SCHEMBL9428243

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
ALOX5 P09917 10/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
EPHX2 P34913 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5AP P20292 1/20 0.41

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
SCHEMBL9427636 0.88 ALOX5 (0.58) NPC1RAB9ASMN1; SMN2KMT2AALOX5
SCHEMBL9428275 0.85 NPC1 (0.57) PDE10ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9428008 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AALOX5
SCHEMBL9427580 0.79 NPC1 (0.57) PDE10ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9428614 0.79 PDE10A (0.52) PDE10ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9427711 0.77 NPC1 (0.56) PDE10ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9427664 0.76 PDE10A (0.53) PDE10ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9427782 0.74 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AALOX5
SCHEMBL9427951 0.74 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALOX5
SCHEMBL9701852 0.73 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AALOX5

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-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US claimed
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