SCHEMBL9848421

SCHEMBL9848421

N#Cc1ccccc1CNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK14 Q16539 2/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
TTR P02766 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
P2RX7 Q99572 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ERCC1 P07992 1/20 0.45

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
SCHEMBL6925202 0.85 P2RX7 (0.49) HPGDALDH1A1MAPK14GAAP2RX7
SCHEMBL2799566 0.84 THRB (0.55) HPGDALDH1A1MAPK14SMN1; SMN2HDAC1
SCHEMBL18132548 0.83 HTT (0.62) HPGDALDH1A1GAALMNAMAPT
SCHEMBL23805008 0.80 P2RX7 (0.48) ALDH1A1SMN1; SMN2MAPTP2RX7NPC1
SCHEMBL26728285 0.80 P2RX7 (0.51) ALDH1A1GAAP2RX7RAB9A
SCHEMBL31036963 0.77 P2RX7 (0.55) ALDH1A1GAAHTTP2RX7NPC1
SCHEMBL10630135 0.77 GAA (0.53) HPGDALDH1A1SMN1; SMN2GAALMNA
SCHEMBL10065403 0.77 P2RX7 (0.49) ALDH1A1GAAP2RX7NPC1RAB9A
SCHEMBL10604929 0.76 HPGD (0.67) HPGDALDH1A1SMN1; SMN2GAATTR
SCHEMBL5723909 0.76 HPGD (0.67) HPGDALDH1A1SMN1; SMN2GAATTR

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
EP-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed