SCHEMBL8307138

SCHEMBL8307138

CC(C#Cc1cccc(C2=NC(c3ccccc3)CO2)c1)NO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 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
SCHEMBL8303980 1.00 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8609779 0.80 ALOX5 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL1298504 0.76 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL14352146 0.76 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8609455 0.75 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4729170 0.73 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8609409 0.73 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4729172 0.73 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8550159 0.72 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8307478 0.72 NPC1 (0.62) 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
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed