SCHEMBL9427508

SCHEMBL9427508

CC(=O)N(O)C(C)c1ccc(-c2ccc(OCc3nc4ccccc4n3C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
ALOX5 P09917 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.47
PDE10A Q9Y233 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL9427781 0.85 RAB9A (0.57) RAB9ANPC1ALOX5SMN1; SMN2TP53
SCHEMBL9472171 0.83 RAB9A (0.66) RAB9ANPC1ALOX5SMN1; SMN2TP53
Water SCHEMBL9427943 0.82 RAB9A (0.62) RAB9ANPC1ALOX5SMN1; SMN2TP53
SCHEMBL9428765 0.77 ALOX5 (0.49) ALOX5PDE10A
SCHEMBL9428008 0.77 NPC1 (0.53) RAB9ANPC1ALOX5SMN1; SMN2MEN1
SCHEMBL9503988 0.76 RAB9A (0.53) RAB9ANPC1ALOX5SMN1; SMN2TP53
SCHEMBL4725005 0.75 RAB9A (0.75) RAB9ANPC1SMN1; SMN2TP53PDE10A
SCHEMBL9584450 0.74 RAB9A (0.59) RAB9ANPC1ALOX5SMN1; SMN2TP53
SCHEMBL2247920 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL7713248 0.73 ALOX5 (0.78) ALOX5

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