SCHEMBL7917427

SCHEMBL7917427

C=C(O)c1ccc2cccc(-c3nccc4ccccc34)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
BCHE P06276 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
PLAU P00749 3/20 0.37
PLG P00747 1/20 0.37
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16502684 0.86 PLAU (0.50) F2BCHEKDM4ENPC1RAB9A
SCHEMBL7919941 0.82 PLAU (0.41) F2BCHEKDM4ENPC1RAB9A
SCHEMBL16503471 0.81 DOT1L (0.39) F2KDM4EMAPTL3MBTL1PLAU
SCHEMBL7913890 0.81 KDM4E (0.38) F2KDM4EMAPTKMT2APLAU
SCHEMBL16502716 0.79 ALDH1A1 (0.48) F2KDM4ENPC1RAB9AMAPT
SCHEMBL7918689 0.79 KDM4E (0.45) F2KDM4ENPC1RAB9AMAPT
SCHEMBL29986041 0.78 BCHE (0.58) BCHEKDM4ENPC1RAB9AMAPT
SCHEMBL158912 0.78 BCHE (0.58) BCHEKDM4ENPC1RAB9AMAPT
SCHEMBL13063585 0.78 NPC1 (0.45) BCHEKDM4ENPC1RAB9AMAPT
SCHEMBL12588350 0.78 NPC1 (0.40) BCHEKDM4ENPC1RAB9AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed