SCHEMBL1739978

SCHEMBL1739978

COCn1c(C)c(C)c2cc(C(=O)N3CCCCC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 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 SCHEMBL1737015 0.99 MEN1 (0.42) MEN1KMT2ARECQLLMNAPRMT5
SCHEMBL1739249 0.92 SMN1; SMN2 (0.40) MEN1KMT2ARECQLLMNAALDH1A1
Hydrochloric Acid SCHEMBL1738845 0.91 SMN1; SMN2 (0.39) MEN1KMT2ARECQLLMNAALDH1A1
SCHEMBL1738730 0.90 MEN1 (0.48) MEN1KMT2ARECQLLMNAPRMT5
Hydrochloric Acid SCHEMBL1736656 0.90 MEN1 (0.48) MEN1KMT2ARECQLLMNAPRMT5
SCHEMBL1737695 0.89 MEN1 (0.49) MEN1KMT2ARECQLLMNAALDH1A1
SCHEMBL1736999 0.89 MEN1 (0.43) MEN1KMT2ARECQLLMNAALDH1A1
Hydrochloric Acid SCHEMBL1738353 0.89 MEN1 (0.48) MEN1KMT2ARECQLLMNAALDH1A1
SCHEMBL1737733 0.88 MEN1 (0.41) MEN1KMT2ARECQLLMNAPRMT5
Hydrochloric Acid SCHEMBL1736544 0.88 MEN1 (0.42) MEN1KMT2ARECQLLMNAALDH1A1

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