SCHEMBL8610635

SCHEMBL8610635

NC(=O)N(O)CCOc1cc(F)cc(C2=N[C@H](c3ccccc3)CO2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MMP2 P08253 1/20 0.38
TAAR1 Q96RJ0 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 3/20 0.34

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
SCHEMBL8553789 0.89 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8553787 0.89 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8612736 0.84 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8610637 0.80 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4726320 0.79 ALDH1A1 (0.38) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4726322 0.79 ALDH1A1 (0.38) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8612062 0.78 ALDH1A1 (0.36) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8612803 0.77 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8309228 0.71 ALOX5 (0.51) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8610041 0.71 ALOX5 (0.51) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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