SCHEMBL1737533

SCHEMBL1737533

CCCn1c(C)c(C)c2cc(C(=O)N3CCN(C)CC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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 SCHEMBL1737659 0.99 MEN1 (0.43) MEN1KMT2ARECQLTAAR1ALDH1A1
SCHEMBL1736999 0.94 MEN1 (0.43) MEN1KMT2ARECQLTAAR1ALDH1A1
SCHEMBL1739692 0.94 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1LMNA
Hydrochloric Acid SCHEMBL1736544 0.93 MEN1 (0.42) MEN1KMT2ARECQLTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL1738970 0.93 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1LMNA
SCHEMBL1737912 0.92 LMNA (0.48) MEN1KMT2ARECQLTAAR1ALDH1A1
SCHEMBL1737741 0.92 MEN1 (0.42) MEN1KMT2ARECQLTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL1737060 0.91 LMNA (0.47) MEN1KMT2ARECQLTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL1736144 0.91 KMT2A (0.41) MEN1KMT2ARECQLTAAR1ALDH1A1
SCHEMBL1737548 0.91 SMN1; SMN2 (0.40) MEN1KMT2ARECQLALDH1A1LMNA

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