SCHEMBL8609455

SCHEMBL8609455

CC(C)NC(=O)N(O)CC#Cc1cccc(C2=N[C@H](c3ccccc3)CO2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PTGES O14684 13/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
ALOX5 P09917 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4729170 0.90 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4729172 0.90 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8609409 0.90 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8613457 0.89 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8309230 0.85 ALOX5 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8309228 0.85 ALOX5 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8610041 0.85 ALOX5 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4729578 0.78 ALOX5 (0.44) NPC1RAB9AALDH1A1ALOX5MEN1
SCHEMBL5086216 0.78 ALOX5 (0.44) NPC1RAB9AALDH1A1ALOX5MEN1
SCHEMBL8609779 0.76 ALOX5 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed