SCHEMBL2016559

SCHEMBL2016559

NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)C2CCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.45
MAPK1 P28482 3/20 0.42
MAPT P10636 8/20 0.42
NPSR1 Q6W5P4 5/20 0.42
HTT P42858 5/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 2/20 0.42
MPI P34949 2/20 0.42
NPC1 O15118 1/20 0.42
METAP2 P50579 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL2012195 0.96 ALDH1A1 (0.44) IDEMAPK1MAPTNPSR1HTT
SCHEMBL2014599 0.91 FNTA (0.44) MAPK1MAPTNPSR1HTTKMT2A
SCHEMBL2013450 0.87 IDE (0.45) IDEMAPK1MAPTNPSR1HTT
SCHEMBL2015675 0.83 METAP2 (0.43) MAPK1MAPTNPSR1HTTKMT2A
SCHEMBL2011899 0.83 ALDH1A1 (0.44) IDEMAPK1MAPTNPSR1HTT
SCHEMBL2012009 0.83 MAPT (0.46) MAPK1MAPTNPSR1HTTKMT2A
SCHEMBL2018078 0.83 MAPT (0.52) MAPK1MAPTNPSR1HTTKMT2A
SCHEMBL2015402 0.83 AKR1C3 (0.43) MAPK1MAPTNPSR1HTTKMT2A
SCHEMBL2017182 0.83 HTT (0.47) MAPK1MAPTNPSR1HTTKMT2A
SCHEMBL2017795 0.82 MEN1 (0.52) MAPK1MAPTHTTKMT2AMEN1

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