SCHEMBL8725869

SCHEMBL8725869

CCOc1c[c]ccc1Nc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.44
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 7/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
GAA P10253 2/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
SRC P12931 1/20 0.36
PRKCA P17252 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
SCHEMBL8721650 0.78 MAPT (0.43) LMNAHTTMAPTALDH1A1TDP1
SCHEMBL160145 0.72 L3MBTL1 (0.46) LMNAHTTMAPTALDH1A1TDP1
SCHEMBL8725866 0.72 EGFR (0.48) EGFRLMNAHTTMAPTALDH1A1
SCHEMBL127280 0.69 ALDH1A1 (0.39) MAPTALDH1A1NPSR1TDP1CYP1A2
SCHEMBL8725293 0.69 IDO1 (0.42) EGFRLMNAHTTMAPTALDH1A1
SCHEMBL161774 0.69 L3MBTL1 (0.46) LMNAHTTMAPTALDH1A1NPSR1
SCHEMBL10458094 0.68 ALDH1A1 (0.38) LMNAHTTMAPTALDH1A1NPSR1
SCHEMBL8970984 0.67 MAPK10 (0.55) LMNAHTTMAPTALDH1A1NPSR1
SCHEMBL25385566 0.66 ALDH1A1 (0.33) MAPTALDH1A1NPSR1TDP1CYP1A2
SCHEMBL11348720 0.66 ALDH1A1 (0.68) LMNAHTTMAPTALDH1A1TDP1

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
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed