SCHEMBL1735909

SCHEMBL1735909

C=Cc1ccc(-c2nccc3c(C)c(C)n(CCOC)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1B Q00975 1/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK10 P53779 1/20 0.32
BRD4 O60885 1/20 0.31
CASR P41180 2/20 0.31
PTGER4 P35408 1/20 0.31
NFATC1 O95644 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31

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 SCHEMBL1736615 0.99 MAPK14 (0.35) MAPK14MEN1NPC1NR2F2RAB9A
SCHEMBL1738709 0.87 CACNA1B (0.34) MAPK14CACNA1BDYRK1A
SCHEMBL1736932 0.87 KMT2A (0.39) MEN1NPC1NR2F2RAB9AKMT2A
Hydrochloric Acid SCHEMBL1737803 0.86 CACNA1B (0.33) MAPK14CACNA1BDYRK1A
Hydrochloric Acid SCHEMBL1736659 0.86 KMT2A (0.38) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL1738099 0.85 ALOX15 (0.47) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL1738547 0.85 ALDH1A1 (0.43) MAPK14MEN1KMT2AALOX15CYP1A2
SCHEMBL1737010 0.85 CYP1A2 (0.43) MAPK14MEN1KMT2AMAPK10CYP1A2
SCHEMBL1739162 0.84 ALDH1A1 (0.44) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL1737960 0.84 CACNA1B (0.35) MEN1KMT2ACACNA1BDYRK1AMAPT

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