SCHEMBL9701852

SCHEMBL9701852

CC(CN(O)C(N)=O)c1ccc2cc(OCc3nc4ccccc4s3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 10/20 0.47
EPHX2 P34913 9/20 0.47
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9505365 0.82 NPC1 (0.51) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9590051 0.82 ALOX5 (0.58) ALOX5
SCHEMBL13696704 0.82 NPC1 (0.51) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9584906 0.81 NPC1 (0.53) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9590136 0.81 ALOX5 (0.57) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9585158 0.81 ALOX5 (0.57) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9503959 0.81 NPC1 (0.50) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9503952 0.79 ALOX5 (0.52) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9427636 0.78 ALOX5 (0.58) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL9508076 0.77 ALOX5 (0.55) NPC1RAB9AMAPTL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084575-A Drugs for the treatment of rhinitis, asthma and skin disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed