SCHEMBL8550159

SCHEMBL8550159

Oc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1.Oc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TAAR1 Q96RJ0 3/20 0.47
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.40
KDM1A O60341 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8308063 1.00 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8307478 1.00 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8307476 1.00 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8550156 1.00 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL1298504 0.89 NPC1 (0.70) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL14352146 0.89 NPC1 (0.70) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL13495018 0.84 NPC1 (0.71) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL29938562 0.84 NPC1 (0.71) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL1149438 0.84 NPC1 (0.71) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9614459 0.82 NPC1 (0.61) 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
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed