SCHEMBL1738776

SCHEMBL1738776

Cc1ccc(Cn2c(C)c(C)c3ccnc(COc4ccc(Cl)c(Cl)c4)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
HRH3 Q9Y5N1 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
MCL1 Q07820 1/20 0.35
RGS4 P49798 1/20 0.34
RGS8 P57771 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
OPRK1 P41145 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
SLC26A4 O43511 1/20 0.34

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 SCHEMBL1736303 0.99 DYRK1A (0.40) DYRK1APTGDR2HRH3TDP1KDM4E
SCHEMBL1738960 0.95 PTGDR2 (0.40) DYRK1APTGDR2HRH3TDP1KDM4E
Hydrochloric Acid SCHEMBL1736499 0.94 PTGDR2 (0.39) DYRK1APTGDR2HRH3TDP1KDM4E
SCHEMBL1738569 0.93 DYRK1A (0.40) DYRK1APTGDR2HRH3KDM4EMAOB
Hydrochloric Acid SCHEMBL1735326 0.92 DYRK1A (0.39) DYRK1APTGDR2HRH3KDM4EMAOB
SCHEMBL1737469 0.92 DYRK1A (0.50) DYRK1APTGDR2TDP1KDM4EMAOA
Hydrochloric Acid SCHEMBL1736451 0.91 DYRK1A (0.49) DYRK1APTGDR2TDP1KDM4EMAOA
SCHEMBL1737594 0.90 HRH3 (0.41) DYRK1APTGDR2HRH3MAOBMAOA
Hydrochloric Acid SCHEMBL1735552 0.89 HRH3 (0.40) DYRK1APTGDR2HRH3MAOBMAOA
SCHEMBL1736377 0.88 MAPT (0.41) DYRK1AHRH3KDM4EMCL1MAPT

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed