SCHEMBL8304850

SCHEMBL8304850

Oc1cccc(C2=NC(c3ccccc3)CO2)c1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 4/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 2/20 0.44
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.37
INPP5D Q92835 1/20 0.36

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
SCHEMBL8304852 1.00 MAPT (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25746548 0.88 MAPT (0.55) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25746558 0.88 MAPT (0.55) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8308681 0.83 MAPT (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8308678 0.83 MAPT (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29708126 0.82 MAPT (0.61) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7689039 0.82 MAPT (0.61) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8611007 0.78 MAPT (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8611012 0.78 MAPT (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8303260 0.78 ALDH1A1 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; 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 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