SCHEMBL248919

SCHEMBL248919

O=C1c2ccccc2C(=O)N1CCc1cc2cc(Br)sc2nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL22743951 0.77 ALDH1A1 (0.42) LMNARXFP1L3MBTL1ALDH1A1MAPT
SCHEMBL31123821 0.77 ALDH1A1 (0.42) LMNARXFP1L3MBTL1ALDH1A1MAPT
SCHEMBL4433755 0.74 LMNA (0.44) LMNARXFP1L3MBTL1ALDH1A1MAPT
SCHEMBL247143 0.72
SCHEMBL248918 0.71 NPSR1 (0.35) LMNAMAPTKMT2APOLBKDM4E
SCHEMBL4437069 0.71 PDE10A (0.47) LMNARXFP1L3MBTL1ALDH1A1MAPT
SCHEMBL22743020 0.71 MAPT (0.45) LMNAL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL246127 0.67 HSD17B10 (0.45) LMNARXFP1L3MBTL1ALDH1A1MAPT
SCHEMBL14293899 0.66 HSD17B10 (0.50) L3MBTL1ALDH1A1MAPTPKMMEN1
SCHEMBL17261503 0.66 PKM (0.55) LMNARXFP1L3MBTL1ALDH1A1MAPT

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-2588468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003262-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed