SCHEMBL2016546

SCHEMBL2016546

NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
LMNA P02545 8/20 0.51
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 5/20 0.49
RAB9A P51151 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
NPC1 O15118 1/20 0.49
GBA1 P04062 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
NPY2R P49146 1/20 0.42
PARP1 P09874 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL2015083 0.88 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2012009 0.88 MAPT (0.46) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2011832 0.87 L3MBTL1 (0.50) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2014194 0.87 L3MBTL1 (0.48) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2015402 0.86 AKR1C3 (0.43) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2012500 0.85 MAPT (0.52) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2163143 0.84 ALDH1A1 (0.56) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2053723 0.83 SLC2A1 (0.48) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2017795 0.83 MEN1 (0.52) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2017028 0.83 LMNA (0.43) KDM4EALDH1A1L3MBTL1LMNAMAPT

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed