SCHEMBL1737872

SCHEMBL1737872

CCC1c2ccccc2CCN1c1nccc2c(C)c(C)n(Cc3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.39
SIGMAR1 Q99720 3/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NR2F2 P24468 1/20 0.33
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRCP P42785 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32

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 SCHEMBL1737082 0.99 FABP4 (0.38) FABP4SIGMAR1GRIN1GRIN2BHTR6
SCHEMBL1739789 0.94 MCL1 (0.36) FABP4MEN1KMT2ATSHRLMNA
Hydrochloric Acid SCHEMBL1736972 0.93 MCL1 (0.35) FABP4SIGMAR1MEN1KMT2ATSHR
SCHEMBL1738008 0.93 MEN1 (0.37) FABP4MEN1KMT2ARAB9AKDM4E
Hydrochloric Acid SCHEMBL1737626 0.92 MEN1 (0.36) FABP4MEN1KMT2ARAB9AKDM4E
SCHEMBL1736108 0.91 SIGMAR1 (0.38) SIGMAR1MEN1KMT2ARAB9AKDM4E
Hydrochloric Acid SCHEMBL1738362 0.90 SIGMAR1 (0.40) SIGMAR1MEN1KMT2ARAB9AKDM4E
SCHEMBL1737624 0.90 HTR2A (0.35) FABP4HTR6MEN1KMT2AKDM4E
SCHEMBL1737283 0.90 MEN1 (0.35) MEN1KMT2ATSHRPRCPLMNA
Hydrochloric Acid SCHEMBL1737690 0.89 HTR2A (0.34) FABP4HTR6MEN1KMT2AKDM4E

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