SCHEMBL8612062

SCHEMBL8612062

NC(=O)N(O)CCOc1cc(Cl)cc(C2=N[C@H](c3ccccc3)CO2)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 4/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 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
SCHEMBL4726322 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL4726320 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL8610635 0.78 NPC1 (0.43) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL8553787 0.76 NPC1 (0.47) ALDH1A1MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL8553789 0.76 NPC1 (0.47) ALDH1A1MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL8612736 0.72 NPC1 (0.47) ALDH1A1MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL8607936 0.70 ALOX5 (0.44) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL5086406 0.69 ALOX5 (0.38) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL4728458 0.69 ALOX5 (0.38) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL8610041 0.65 ALOX5 (0.51) ALDH1A1LMNAMEN1KMT2ATAAR1

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