SCHEMBL1737594

SCHEMBL1737594

Cc1ccc(Cn2c(C)c(C)c3ccnc(COc4ccc(C)cc4)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
DYRK1A Q13627 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.40
MCL1 Q07820 1/20 0.39
CYP19A1 P11511 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP4 P15090 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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 SCHEMBL1735552 0.99 HRH3 (0.40) HRH3DYRK1AGAANPSR1LMNA
SCHEMBL1736377 0.95 MAPT (0.41) HRH3DYRK1AGAANPSR1LMNA
SCHEMBL1737416 0.95 MAPT (0.41) HRH3DYRK1AGAANPSR1LMNA
SCHEMBL1738968 0.95 MAPT (0.41) HRH3DYRK1AGAANPSR1LMNA
SCHEMBL1737387 0.95 MAPT (0.41) HRH3DYRK1AGAANPSR1LMNA
Hydrochloric Acid SCHEMBL1737746 0.94 MAPT (0.40) HRH3DYRK1AGAANPSR1LMNA
Hydrochloric Acid SCHEMBL1737020 0.94 MAPT (0.40) HRH3DYRK1AGAANPSR1LMNA
Hydrochloric Acid SCHEMBL1736162 0.94 MAPT (0.40) HRH3DYRK1AGAANPSR1LMNA
Hydrochloric Acid SCHEMBL1737634 0.94 MAPT (0.40) HRH3DYRK1AGAANPSR1LMNA
SCHEMBL1737080 0.94 DYRK1A (0.48) DYRK1AGAANPSR1LMNAMCL1

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