SCHEMBL8609409

SCHEMBL8609409

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
ALOX5 P09917 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4729172 1.00 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4729170 1.00 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8613457 0.91 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8609455 0.90 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8309228 0.88 ALOX5 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8309230 0.88 ALOX5 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8610041 0.88 ALOX5 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8656547 0.85 MAPT (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8655026 0.85 MAPT (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8608271 0.85 MEN1 (0.38) 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