SCHEMBL5807191

SCHEMBL5807191

COc1ccc(Cn2c(C)c(C)c3ccnc(OC)c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.43
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
DCTPP1 Q9H773 2/20 0.40
LMNA P02545 2/20 0.40
P2RX4 Q99571 1/20 0.40
CNR2 P34972 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
DYRK1A Q13627 1/20 0.39
THRB P10828 1/20 0.38
PIK3CD O00329 1/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 2/20 0.38

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
Hydrochloric Acid SCHEMBL5807324 0.99 MAPT (0.47) MAPTALDH1A1KDM4EALOX15PTGDR2
SCHEMBL5809105 0.88 MAPT (0.42) MAPTALDH1A1KDM4EALOX15PTGDR2
Hydrochloric Acid SCHEMBL5806995 0.87 MAPT (0.41) MAPTALDH1A1KDM4EALOX15PTGDR2
Hydrochloric Acid SCHEMBL5807372 0.86 CYP1A2 (0.45) MAPTALDH1A1KDM4EALOX15PTGDR2
Hydrochloric Acid SCHEMBL5811404 0.85 CYP1A2 (0.46) MAPTALDH1A1KDM4EALOX15PTGDR2
Hydrochloric Acid SCHEMBL5806984 0.85 MAPT (0.39) MAPTALDH1A1KDM4EALOX15PTGDR2
Hydrochloric Acid SCHEMBL5810302 0.85 MAPT (0.39) MAPTALDH1A1KDM4EALOX15PTGDR2
SCHEMBL5806243 0.85 PTGDR2 (0.42) MAPTALDH1A1PTGDR2GAADCTPP1
SCHEMBL1739797 0.85 ALDH1A1 (0.46) MAPTALDH1A1KDM4EALOX15PTGDR2
Hydrochloric Acid SCHEMBL5808605 0.84 PTGDR2 (0.41) MAPTALDH1A1PTGDR2GAADCTPP1

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed