SCHEMBL2011899

SCHEMBL2011899

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 8/20 0.43
NPSR1 Q6W5P4 5/20 0.43
HTT P42858 5/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
MPI P34949 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MAPK1 P28482 4/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
IDE P14735 1/20 0.42
KDM4E B2RXH2 5/20 0.41
LMNA P02545 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL2013450 0.96 IDE (0.45) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2016234 0.93 FNTA (0.44) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2012195 0.86 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2016804 0.84 SLC6A7 (0.47) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2013930 0.84 AKR1C3 (0.43) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2014280 0.84 MEN1 (0.52) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL2014016 0.84 MAPT (0.41) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2015986 0.83 L3MBTL1 (0.48) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2013917 0.83 METAP2 (0.43) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL2015058 0.83 GBA1 (0.45) ALDH1A1MAPTNPSR1HTTKMT2A

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