SCHEMBL9428008

SCHEMBL9428008

CC(=O)N(O)C(C)c1ccc(-c2ccc(OCc3nc4ccccc4s3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX5 P09917 7/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 5/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX5AP P20292 1/20 0.47

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 0.91 ALOX5 (0.58) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL9428147 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL9427782 0.84 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL9427951 0.83 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL9428049 0.82 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL9429907 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL9428243 0.80 PDE10A (0.49) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
Propionic Acid SCHEMBL9428064 0.78 NPC1 (0.68) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL9428765 0.78 ALOX5 (0.49) ALOX5
SCHEMBL7544483 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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