SCHEMBL8230858

SCHEMBL8230858

O=C1c2cccc(N3CCCC3)c2CCN1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MAPK1 P28482 5/20 0.46
ALDH1A1 P00352 3/20 0.46
EGFR P00533 2/20 0.46
RAF1 P04049 1/20 0.46
ALOX12 P18054 1/20 0.46
MAP2K1 Q02750 1/20 0.46
NSD2 O96028 1/20 0.42
KMT2A Q03164 9/20 0.39
MEN1 O00255 8/20 0.39
HTT P42858 3/20 0.39
TLR9 Q9NR96 2/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 3/20 0.37
AVPR1A P37288 1/20 0.37
POLB P06746 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL8233896 0.98 MAPT (0.45) MAPTL3MBTL1MAPK1ALDH1A1EGFR
SCHEMBL8233894 0.87 KMT2A (0.50) MAPTMAPK1ALDH1A1EGFRNSD2
SCHEMBL8232554 0.87 L3MBTL1 (0.50) MAPTL3MBTL1ALDH1A1NSD2KMT2A
SCHEMBL8231190 0.81 POLB (0.47) MAPTL3MBTL1MAPK1ALDH1A1EGFR
SCHEMBL14363928 0.78 MAPT (0.43) MAPTL3MBTL1MAPK1ALDH1A1EGFR
SCHEMBL14363927 0.77 MAPT (0.42) MAPTL3MBTL1MAPK1ALDH1A1EGFR
SCHEMBL29698264 0.72 PARP1 (0.55) MAPTL3MBTL1MAPK1ALDH1A1EGFR
SCHEMBL8231662 0.71 LMNA (0.52) MAPTMAPK1ALDH1A1EGFRKMT2A
SCHEMBL20887136 0.69 ALDH1A1 (0.46) MAPTL3MBTL1MAPK1ALDH1A1EGFR
SCHEMBL25027414 0.67 KMT2A (0.48) MAPTL3MBTL1ALDH1A1KMT2ATLR9

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
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed