SCHEMBL8303260

SCHEMBL8303260

OCC#Cc1cccc(C2=NC(c3ccccc3)CO2)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
TAAR1 Q96RJ0 3/20 0.38
INPP5D Q92835 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP19A1 P11511 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8303262 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5086406 0.83 ALOX5 (0.38) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4728458 0.83 ALOX5 (0.38) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8610038 0.81 NPC1 (0.47) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8304850 0.78 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8304852 0.78 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8611009 0.77 POLB (0.42) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8304182 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8304186 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8308678 0.75 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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 3 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
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