SCHEMBL8611012

SCHEMBL8611012

C#CC(O)c1cccc(C2=N[C@H](c3ccccc3)CO2)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 4/20 0.38
CYP19A1 P11511 1/20 0.35
INPP5D Q92835 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8611007 1.00 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8304850 0.78 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8304852 0.78 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8308681 0.75 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8308678 0.75 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8303260 0.75 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8303262 0.75 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29708126 0.74 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7689039 0.74 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8611009 0.73 POLB (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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