SCHEMBL1739457

SCHEMBL1739457

COCCn1c(C)c(C)c2ccnc(/C=C/c3ccccc3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
GLA P06280 6/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
NR2F2 P24468 1/20 0.40
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1739460 1.00 NPC1 (0.46) NPC1RAB9AGLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1738509 0.99 NPC1 (0.45) NPC1RAB9AGLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1738375 0.99 NPC1 (0.45) NPC1RAB9AGLAKDM4EALDH1A1
SCHEMBL1736477 0.88 KDM4E (0.40) NPC1RAB9AGLAKDM4EALDH1A1
SCHEMBL1736476 0.88 KDM4E (0.40) NPC1RAB9AGLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1737005 0.87 KDM4E (0.39) NPC1RAB9AGLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1737006 0.87 KDM4E (0.39) NPC1RAB9AGLAKDM4EALDH1A1
SCHEMBL1736368 0.84 GLA (0.42) NPC1RAB9AGLAKDM4EALDH1A1
SCHEMBL1736370 0.84 GLA (0.42) NPC1RAB9AGLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1738068 0.83 KDM4E (0.41) NPC1RAB9AGLAKDM4EALDH1A1

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 6 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
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed