SCHEMBL1739082

SCHEMBL1739082

Cc1c(C)n(Cc2cccc(Cl)c2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCN(C)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 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
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 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 SCHEMBL1736933 0.99 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTP53GAA
SCHEMBL1737597 0.94 TP53 (0.41) ALDH1A1MAPTHPGDTP53GAA
SCHEMBL1738004 0.94 MEN1 (0.42) ALDH1A1MAPTHPGDTP53GAA
Hydrochloric Acid SCHEMBL1738713 0.93 TP53 (0.41) ALDH1A1MAPTHPGDTP53GAA
Hydrochloric Acid SCHEMBL1737473 0.93 MEN1 (0.41) ALDH1A1MAPTHPGDTP53GAA
SCHEMBL1738236 0.92 MEN1 (0.41) ALDH1A1MAPTHPGDGAAKMT2A
Hydrochloric Acid SCHEMBL1735882 0.91 MEN1 (0.40) ALDH1A1MAPTHPGDGAAKMT2A
SCHEMBL1739451 0.91 L3MBTL1 (0.38) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL1739114 0.90 MEN1 (0.40) ALDH1A1MAPTHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL1738183 0.90 L3MBTL1 (0.38) ALDH1A1HPGDKMT2AMEN1NPC1

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