SCHEMBL6313384

SCHEMBL6313384

Fc1cccc([C](c2ccccc2)c2cccc(F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
PARP1 P09874 1/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KCNK3 O14649 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.47
NFE2L2 Q16236 1/20 0.45
GAA P10253 1/20 0.45
KAT6A Q92794 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PLA2G7 Q13093 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6317725 1.00 CES2 (0.58) CES2CES1PARP1MEN1KMT2A
SCHEMBL4078123 0.93 CES2 (0.65) CES2CES1PARP1MEN1KMT2A
SCHEMBL6319924 0.83 CES1 (0.44) CES2CES1PARP1MEN1KMT2A
SCHEMBL29623677 0.77 ATM (0.71) CES2CES1PARP1MEN1KMT2A
SCHEMBL3834026 0.77 ATM (0.71) CES2CES1PARP1MEN1KMT2A
SCHEMBL29174153 0.77 CES2 (0.54) CES2CES1PARP1MEN1KMT2A
SCHEMBL6312637 0.77 NPC1 (0.48) CES2CES1MEN1KMT2AKCNK3
SCHEMBL31448095 0.76 CES2 (0.58) CES2CES1PARP1MEN1KMT2A
SCHEMBL16955426 0.76 CES2 (0.58) CES2CES1PARP1MEN1KMT2A
SCHEMBL13950378 0.76 CES2 (0.71) CES2CES1PARP1MEN1KMT2A

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
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed