SCHEMBL1736377

SCHEMBL1736377

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 4/20 0.40
HRH3 Q9Y5N1 1/20 0.38
DYRK1A Q13627 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MCL1 Q07820 1/20 0.36
PRMT5 O14744 1/20 0.36
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 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
SCHEMBL1737387 1.00 MAPT (0.41) MAPTTP53HRH3DYRK1AGAA
Hydrochloric Acid SCHEMBL1737746 0.99 MAPT (0.40) MAPTTP53HRH3DYRK1AGAA
Hydrochloric Acid SCHEMBL1737634 0.99 MAPT (0.40) MAPTTP53HRH3DYRK1AGAA
SCHEMBL1737594 0.95 HRH3 (0.41) MAPTTP53HRH3DYRK1AGAA
Hydrochloric Acid SCHEMBL1735552 0.94 HRH3 (0.40) MAPTTP53HRH3DYRK1AGAA
SCHEMBL1738711 0.92 MAPT (0.41) MAPTTP53DYRK1AKDM4EPOLB
Hydrochloric Acid SCHEMBL1736702 0.91 MAPT (0.40) MAPTTP53DYRK1AADAMTS5MCL1
SCHEMBL1735942 0.91 DYRK1A (0.47) MAPTTP53DYRK1AGAANPSR1
SCHEMBL1737416 0.91 MAPT (0.41) MAPTTP53HRH3DYRK1AGAA
SCHEMBL1738968 0.91 MAPT (0.41) MAPTTP53HRH3DYRK1AGAA

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