SCHEMBL2013450

SCHEMBL2013450

O=CCc1cc(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 4/20 0.42
MAPT P10636 6/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
MPI P34949 1/20 0.42
METAP2 P50579 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 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
SCHEMBL2011899 0.96 ALDH1A1 (0.44) IDEMAPK1MAPTKMT2ANPSR1
SCHEMBL2016234 0.91 FNTA (0.44) MAPK1MAPTKMT2ANPSR1HTT
SCHEMBL2016559 0.87 IDE (0.45) IDEMAPK1MAPTKMT2ANPSR1
SCHEMBL2013576 0.84 METAP2 (0.42) MAPK1MAPTKMT2ANPSR1HTT
SCHEMBL2012195 0.83 ALDH1A1 (0.44) IDEMAPK1MAPTKMT2ANPSR1
SCHEMBL2016804 0.83 SLC6A7 (0.47) MAPK1MAPTKMT2ANPSR1HTT
SCHEMBL2013930 0.83 AKR1C3 (0.43) MAPK1MAPTKMT2ANPSR1HTT
SCHEMBL2014280 0.82 MEN1 (0.52) MAPK1MAPTKMT2AHTTMEN1
SCHEMBL2014016 0.82 MAPT (0.41) MAPK1MAPTKMT2ANPSR1HTT
SCHEMBL2015986 0.82 L3MBTL1 (0.48) MAPK1MAPTKMT2ANPSR1HTT

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