SCHEMBL2016804

SCHEMBL2016804

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 6/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPY2R P49146 1/20 0.44
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
SMO Q99835 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL2013930 0.94 AKR1C3 (0.43) SLC6A7MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2014280 0.92 MEN1 (0.52) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL2013318 0.92 L3MBTL1 (0.53) SLC6A7MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2013896 0.90 MAPT (0.52) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL2015986 0.89 L3MBTL1 (0.48) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL2015083 0.87 ALDH1A1 (0.54) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL2012009 0.86 MAPT (0.46) SLC6A7MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2015058 0.85 GBA1 (0.45) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL2011899 0.84 ALDH1A1 (0.44) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL2014402 0.83 ALDH1A1 (0.52) MAPTHTTALDH1A1TSHRKDM4E

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