SCHEMBL1740044

SCHEMBL1740044

COc1ccc(Cn2c(C)c(C)c3ccnc(N4CCc5ccccc5C4)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40

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 SCHEMBL1735879 0.99 ALDH1A1 (0.43) MAPTKDM4EPRMT5WDR77NPSR1
SCHEMBL1737674 0.90 GRIN2D (0.47) MAPTKDM4EPRMT5WDR77NPSR1
SCHEMBL1736986 0.90 ALDH1A1 (0.48) MAPTKDM4ENPSR1MAPK1ALDH1A1
SCHEMBL1737276 0.90 KDM4E (0.42) MAPTKDM4EPRMT5WDR77NPSR1
SCHEMBL1738405 0.90 PRMT5 (0.42) MAPTKDM4EPRMT5WDR77NPSR1
Hydrochloric Acid SCHEMBL1738882 0.89 GRIN2D (0.46) MAPTKDM4EPRMT5WDR77NPSR1
SCHEMBL1739791 0.89 GRIN2D (0.42) MAPTKDM4EPRMT5WDR77NPSR1
Hydrochloric Acid SCHEMBL1737622 0.89 ALDH1A1 (0.47) MAPTKDM4ENPSR1MAPK1ALDH1A1
SCHEMBL1737104 0.89 TNF (0.41) MAPTKDM4ENPSR1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL1737085 0.89 PRMT5 (0.42) MAPTKDM4EPRMT5WDR77NPSR1

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