SCHEMBL5809105

SCHEMBL5809105

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
DCTPP1 Q9H773 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
P2RX4 Q99571 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 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
Hydrochloric Acid SCHEMBL5806995 0.99 MAPT (0.41) MAPTKDM4EALDH1A1ALOX15PTGDR2
SCHEMBL5809806 0.90 MCL1 (0.38) ALDH1A1PTGDR2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5807333 0.88 MCL1 (0.38) ALDH1A1PTGDR2MEN1KMT2ASMN1; SMN2
SCHEMBL5810860 0.88 KDM4E (0.38) MAPTKDM4EALDH1A1PTGDR2GAA
SCHEMBL5807191 0.88 MAPT (0.48) MAPTKDM4EALDH1A1ALOX15PTGDR2
Hydrochloric Acid SCHEMBL5806984 0.88 MAPT (0.39) MAPTKDM4EALDH1A1ALOX15PTGDR2
Hydrochloric Acid SCHEMBL5809996 0.87 KDM4E (0.37) MAPTKDM4EALDH1A1PTGDR2GAA
SCHEMBL5806009 0.87 CYP1A2 (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5811300 0.87 FABP4 (0.46) MAPTKDM4EPTGDR2MEN1KMT2A
SCHEMBL5806503 0.87 MAPT (0.41) MAPTKDM4EALDH1A1GAAMEN1

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