SCHEMBL8309230

SCHEMBL8309230

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
EPHX2 P34913 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8309228 1.00 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2MAPT
SCHEMBL8610041 1.00 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2MAPT
SCHEMBL4729578 0.92 ALOX5 (0.44) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL5086216 0.92 ALOX5 (0.44) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL4729170 0.88 NPC1 (0.45) ALOX5NPC1RAB9AMAPTALDH1A1
SCHEMBL4729172 0.88 NPC1 (0.45) ALOX5NPC1RAB9AMAPTALDH1A1
SCHEMBL8609409 0.88 NPC1 (0.45) ALOX5NPC1RAB9AMAPTALDH1A1
SCHEMBL8613457 0.86 NPC1 (0.44) ALOX5NPC1RAB9AEPHX2MAPT
SCHEMBL8609455 0.85 NPC1 (0.43) ALOX5NPC1RAB9AMAPTALDH1A1
SCHEMBL8659861 0.85 MAPT (0.51) ALOX5NPC1RAB9AEPHX2MAPT

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
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed