SCHEMBL1737276

SCHEMBL1737276

COc1cccc(Cn2c(C)c(C)c3ccnc(N4CCc5ccccc5C4)c32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 4/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
HTR6 P50406 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39

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 SCHEMBL1736891 0.99 KDM4E (0.42) KDM4EMAPTMAPK1NPSR1ALDH1A1
SCHEMBL1737978 0.90 KDM4E (0.41) KDM4EMAPTMAPK1NPSR1ALDH1A1
SCHEMBL1740044 0.90 MAPT (0.42) KDM4EMAPTMAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1737612 0.90 KDM4E (0.40) KDM4EMAPTMAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1735879 0.89 ALDH1A1 (0.43) KDM4EMAPTMAPK1NPSR1ALDH1A1
SCHEMBL1737342 0.89 GRIN2D (0.47) KDM4EMAPTMAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1737030 0.88 GRIN2D (0.47) KDM4EMAPTMAPK1NPSR1ALDH1A1
SCHEMBL1736986 0.88 ALDH1A1 (0.48) KDM4EMAPTMAPK1NPSR1ALDH1A1
SCHEMBL1738410 0.87 GRIN2D (0.41) KDM4EMAPTMAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL1737622 0.86 ALDH1A1 (0.47) KDM4EMAPTMAPK1NPSR1ALDH1A1

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