SCHEMBL1736724

SCHEMBL1736724

CCC(=O)c1cc2c(C)c(C)n(Cc3cccc(Cl)c3)c2c(N2CCc3ccccc3C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FABP4 P15090 1/20 0.37
ALDH1A2 O94788 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
HTR6 P50406 2/20 0.35
MAOB P27338 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 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 SCHEMBL1737360 0.99 TP53 (0.42) TP53ALDH1A1MAPTGAAHPGD
SCHEMBL1737525 0.93 FABP4 (0.41) ALDH1A1MAPTGAAHPGDALOX15
Hydrochloric Acid SCHEMBL1736905 0.92 FABP4 (0.40) ALDH1A1MAPTGAAHPGDALOX15
SCHEMBL1737224 0.92 TP53 (0.44) TP53ALDH1A1MAPTGAAHPGD
SCHEMBL1738202 0.91 ALDH1A1 (0.45) TP53ALDH1A1MAPTGAAHPGD
SCHEMBL1737597 0.88 TP53 (0.41) TP53ALDH1A1MAPTGAAHPGD
SCHEMBL1739082 0.88 ALDH1A1 (0.43) TP53ALDH1A1MAPTGAAHPGD
Hydrochloric Acid SCHEMBL1736933 0.87 ALDH1A1 (0.42) TP53ALDH1A1MAPTGAAHPGD
Hydrochloric Acid SCHEMBL1738713 0.87 TP53 (0.41) TP53ALDH1A1MAPTGAAHPGD
SCHEMBL1738747 0.86 MEN1 (0.45) TP53ALDH1A1MAPTGAAHPGD

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 5 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
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed