SCHEMBL7974674

SCHEMBL7974674

COc1ccc(Oc2nccc(-c3[c]nccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPK14 Q16539 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 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
SCHEMBL7989153 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL5066564 0.73 CLK4 (0.48) ALDH1A1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL7986965 0.73 MAPT (0.41) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL7988190 0.72 PDE10A (0.45) MEN1KMT2ARAB9AHTTL3MBTL1
SCHEMBL1415469 0.68 ALDH1A1 (0.57) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL5263862 0.68 DYRK1A (0.46) MAPK9MAPK14TDP1PIK3CAPIK3CG
SCHEMBL7985834 0.68 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL4965891 0.65 ALDH1A1 (0.52) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL8864442 0.64 ALDH1A1 (1.00) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL4196981 0.63 CCR1 (0.54) MAPK14CCR1CCR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO claimed
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO disclosed