SCHEMBL5806503

SCHEMBL5806503

COc1cccc(Cn2c(C)c(C)c3ccnc(OCC(C)C)c32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
ROCK2 O75116 3/20 0.40
PPARG P37231 2/20 0.40
BRD4 O60885 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
PLA2G2A P14555 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39

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 SCHEMBL5807252 0.99 MAPT (0.40) MAPTTHRBROCK2PPARGBRD4
Hydrochloric Acid SCHEMBL5808914 0.89 MAPT (0.39) MAPTTHRBROCK2PPARGBRD4
SCHEMBL5806308 0.88 FABP4 (0.38) MAPTHTR6ALDH1A1GAATSHR
Hydrochloric Acid SCHEMBL5806196 0.87 FABP4 (0.37) MAPTHTR6ALDH1A1GAATSHR
SCHEMBL5809105 0.87 MAPT (0.42) MAPTTHRBBRD4ALDH1A1KDM4E
SCHEMBL5806782 0.86 ATM (0.38) MAPTROCK2HTR6ALDH1A1KDM4E
SCHEMBL5811354 0.86 MEN1 (0.42) MAPTPPARGHTR6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5806995 0.86 MAPT (0.41) MAPTTHRBBRD4ALDH1A1KDM4E
SCHEMBL5811300 0.86 FABP4 (0.46) MAPTTHRBPPARGKDM4ETSHR
Hydrochloric Acid SCHEMBL5808423 0.85 ATM (0.38) MAPTROCK2HTR6ALDH1A1KDM4E

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