SCHEMBL9849196

SCHEMBL9849196

CCOC(=O)[N]Cc1ccc2ccccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NCEH1 Q6PIU2 3/20 0.41
CDC25B P30305 2/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.39
ATM Q13315 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDC25A P30304 1/20 0.39

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
SCHEMBL6655998 0.79 ALDH1A1 (0.53) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL7153174 0.77 NPC1 (0.48) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL9849200 0.76 NCEH1 (0.52) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL10391564 0.76 ALDH1A1 (0.46) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL9849278 0.75 KDM4E (0.38) SMN1; SMN2MAPTHPGDALDH1A1NCEH1
SCHEMBL7060600 0.75 PRNP (0.44) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL30640504 0.74 GABRA1 (0.52) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL8850092 0.74 GABRA1 (0.52) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL7057912 0.74 PRNP (0.41) PRNPRXFP1SMN1; SMN2NPC1MAPT
SCHEMBL7057910 0.74 PRNP (0.41) PRNPRXFP1SMN1; SMN2NPC1MAPT

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-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP disclosed