SCHEMBL8303887

SCHEMBL8303887

c1ccc(COc2cccc(C3=NC(c4ccccc4)CO3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC4 P56524 1/20 0.44
KDM1A O60341 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MAOB P27338 4/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL8303889 1.00 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8308036 0.85 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8305637 0.85 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8305639 0.85 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8549505 0.85 RAB9A (0.67) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1298504 0.81 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14352146 0.81 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8550398 0.80 NPC1 (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3611789 0.79 TAAR1 (0.70) TAAR1MAOB
SCHEMBL3611792 0.79 TAAR1 (0.70) TAAR1MAOB

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 4 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
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