SCHEMBL1736771

SCHEMBL1736771

Cc1c(C)n(C)c2c(C=Cc3ccccc3)nccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
MAPT P10636 6/20 0.46
GLA P06280 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPK1 P28482 3/20 0.46
ATM Q13315 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 8/20 0.42
GAA P10253 5/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GRM4 Q14833 4/20 0.42
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
S100A4 P26447 1/20 0.39

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
SCHEMBL1736770 1.00 KDM4E (0.46) KDM4EMAPTGLANPC1RAB9A
Hydrochloric Acid SCHEMBL1737807 0.99 KDM4E (0.45) KDM4EMAPTGLANPC1RAB9A
Hydrochloric Acid SCHEMBL1737874 0.99 KDM4E (0.45) KDM4EMAPTGLANPC1RAB9A
SCHEMBL1736368 0.83 GLA (0.42) KDM4EMAPTGLANPC1RAB9A
SCHEMBL1736370 0.83 GLA (0.42) KDM4EMAPTGLANPC1RAB9A
Hydrochloric Acid SCHEMBL1738068 0.82 KDM4E (0.41) KDM4EMAPTGLANPC1RAB9A
Hydrochloric Acid SCHEMBL1737064 0.82 KDM4E (0.41) KDM4EMAPTGLANPC1RAB9A
SCHEMBL1737998 0.81 KDM4E (0.44) KDM4EMAPTGLANPC1RAB9A
SCHEMBL1738554 0.81 FABP4 (0.47) KDM4EMAPTGLANPC1RAB9A
SCHEMBL1737997 0.81 KDM4E (0.44) KDM4EMAPTGLANPC1RAB9A

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