SCHEMBL1736108

SCHEMBL1736108

CCC1c2ccccc2CCN1c1nccc2c(C)c(C)n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMPD1 P17405 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD1 P21728 1/20 0.34
POLB P06746 1/20 0.34
HCRTR1 O43613 1/20 0.33
PAX8 Q06710 1/20 0.33

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 SCHEMBL1738362 0.99 SIGMAR1 (0.40) SIGMAR1PRMT5WDR77ALDH1A1MAPT
SCHEMBL1739789 0.91 MCL1 (0.36) PRMT5WDR77ALDH1A1MAPTMEN1
SCHEMBL1737872 0.91 FABP4 (0.39) SIGMAR1ALDH1A1MAPTKDM4EMEN1
SCHEMBL1738675 0.90 SIGMAR1 (0.39) SIGMAR1PRMT5WDR77ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1736972 0.90 MCL1 (0.35) SIGMAR1PRMT5WDR77ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1737082 0.90 FABP4 (0.38) SIGMAR1KDM4EMEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL1737200 0.90 SIGMAR1 (0.40) SIGMAR1PRMT5WDR77ALDH1A1MAPT
SCHEMBL1738008 0.89 MEN1 (0.37) KDM4EMEN1RAB9AKMT2AALOX15
Hydrochloric Acid SCHEMBL1737626 0.89 MEN1 (0.36) KDM4EMEN1RAB9AKMT2AALOX15
SCHEMBL1739794 0.88 SIGMAR1 (0.41) SIGMAR1PRMT5WDR77ALDH1A1SMPD1

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