SCHEMBL8716801

SCHEMBL8716801

CCOc1cccc(C=O)c1N(C)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
RAB9A P51151 3/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.36
PPARD Q03181 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8429671 0.82 NPC1 (0.40) NPC1ALDH1A1GAAPPARGPPARA
SCHEMBL8429668 0.76 PPARG (0.53) ALDH1A1PPARGPPARASMN1; SMN2
SCHEMBL8719666 0.76 ALDH1A1 (0.40) NPC1ALDH1A1GAALMNAKMT2A
SCHEMBL8719479 0.76 ALOX15 (0.42) NPC1ALDH1A1GAALMNAKMT2A
SCHEMBL8716289 0.75 PPARG (0.48) NPC1ALDH1A1PPARGPPARAPPARD
SCHEMBL8716282 0.74 PPARG (0.47) NPC1ALDH1A1PPARGPPARASMN1; SMN2
SCHEMBL17513806 0.68 ALDH1A1 (0.48) NPC1ALDH1A1GAALMNAKMT2A
SCHEMBL535646 0.67 ALDH1A1 (0.73) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL31401930 0.67 ALDH1A1 (0.73) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL10431312 0.67 SMN1; SMN2 (0.45) NPC1ALDH1A1GAALMNARAB9A

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-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed