SCHEMBL8725866

SCHEMBL8725866

CCOc1ccc[c]c1Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
FBP1 P09467 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
GAA P10253 2/20 0.36
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL8721647 0.79 SMN1; SMN2 (0.49) L3MBTL1TDP1MAPK1MAPTALDH1A1
SCHEMBL160177 0.73 L3MBTL1 (0.46) EGFRL3MBTL1TDP1CYP1A2CYP2D6
SCHEMBL8725869 0.72 EGFR (0.44) EGFRL3MBTL1TDP1CYP1A2CYP2D6
SCHEMBL5469903 0.69 MEN1 (0.46) EGFRMAPTALDH1A1LMNAHTT
SCHEMBL5474830 0.69 EGFR (0.49) EGFRCYP1A2MAPTALDH1A1KMT2A
SCHEMBL8725276 0.68 BRAF (0.45) EGFRL3MBTL1TDP1CYP1A2CYP2D6
SCHEMBL2778847 0.68 ALDH1A1 (0.45) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL285182 0.68 ALDH1A1 (0.45) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL1301200 0.66 ALDH1A1 (0.44) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL7040556 0.66 ALDH1A1 (0.44) L3MBTL1TDP1CYP1A2CYP2D6CYP2C19

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