SCHEMBL5794339

SCHEMBL5794339

COC(=O)CCn1c(C)c(C)c2ccnc(Oc3ccc4oc5ccccc5c4c3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PTGER4 P35408 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
GABRP O00591 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 SCHEMBL5809237 0.85 NPC1 (0.45) LMNANPC1MAPTNPSR1RXFP1
Hydrochloric Acid SCHEMBL5808654 0.85 MAPT (0.46) DYRK1ALMNANPC1MAPTNPSR1
SCHEMBL5806150 0.84 MAPT (0.49) DYRK1ALMNANPC1MAPTNPSR1
Hydrochloric Acid SCHEMBL5810209 0.83 MAPT (0.48) DYRK1ALMNANPC1MAPTNPSR1
SCHEMBL5811658 0.82 NPC1 (0.46) LMNANPC1MAPTNPSR1RXFP1
SCHEMBL5806149 0.82 NPC1 (0.46) DYRK1ALMNANPC1MAPTNPSR1
Hydrochloric Acid SCHEMBL5806692 0.82 MAPT (0.46) LMNANPC1MAPTNPSR1RXFP1
Hydrochloric Acid SCHEMBL5808644 0.81 NPC1 (0.46) LMNANPC1MAPTNPSR1RXFP1
Hydrochloric Acid SCHEMBL5810783 0.80 MAPT (0.43) LMNANPC1MAPTRXFP1ALDH1A1
Hydrochloric Acid SCHEMBL5811160 0.80 MAPT (0.43) LMNANPC1MAPTNPSR1RXFP1

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