SCHEMBL14940276

SCHEMBL14940276

COc1cccc(C2(Br)Cc3ccccc3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
KDM1A O60341 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL14939457 0.83 NPSR1 (0.49) LMNAMAPTKMT2AMEN1L3MBTL1
SCHEMBL14939771 0.82 PPIB (0.47) PPIBLMNAMAPTKMT2AMEN1
SCHEMBL14938966 0.82 MAOB (0.45) PPIBLMNAMAPTNPC1RAB9A
SCHEMBL14938940 0.79 NPSR1 (0.49) LMNAMAPTKMT2ARAB9APKM
SCHEMBL14938934 0.79 LMNA (0.38) LMNAKMT2AMEN1L3MBTL1UTS2R
SCHEMBL14939783 0.79 CASP6 (0.40) LMNAMAPTKMT2AMEN1L3MBTL1
SCHEMBL14939565 0.78 NPSR1 (0.44) LMNAMAPTNPC1RAB9AL3MBTL1
SCHEMBL14938847 0.78 HPGD (0.38) LMNAMAPTKMT2AMEN1L3MBTL1
SCHEMBL14939005 0.77 KMT2A (0.49) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14939739 0.76 NPSR1 (0.40) LMNAMAPTKMT2AMEN1L3MBTL1

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-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed