SCHEMBL1739692

SCHEMBL1739692

CCn1c(C)c(C)c2cc(C(=O)N3CCN(C)CC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RECQL P46063 1/20 0.45
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
TP53 P04637 1/20 0.37
SPR P35270 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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 SCHEMBL1738970 0.99 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1HPGD
SCHEMBL1738244 0.94 RECQL (0.52) MEN1KMT2ARECQLALDH1A1HPGD
SCHEMBL1737533 0.94 MEN1 (0.44) MEN1KMT2ARECQLALDH1A1HPGD
SCHEMBL1737695 0.94 MEN1 (0.49) MEN1KMT2ARECQLALDH1A1HPGD
Hydrochloric Acid SCHEMBL1737659 0.93 MEN1 (0.43) MEN1KMT2ARECQLALDH1A1HPGD
Hydrochloric Acid SCHEMBL1737362 0.93 RECQL (0.51) MEN1KMT2ARECQLALDH1A1HPGD
Hydrochloric Acid SCHEMBL1738353 0.93 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1HPGD
SCHEMBL1738730 0.93 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1HPGD
SCHEMBL1737736 0.92 MEN1 (0.52) MEN1KMT2ARECQLALDH1A1HPGD
Hydrochloric Acid SCHEMBL1736656 0.92 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1HPGD

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