SCHEMBL2013318

SCHEMBL2013318

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
SLC6A7 Q99884 3/20 0.50
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
HSP90AA1 P07900 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MTOR P42345 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
SCHEMBL2016804 0.92 SLC6A7 (0.47) L3MBTL1SLC6A7HTTNPSR1RAB9A
SCHEMBL2013930 0.92 AKR1C3 (0.43) L3MBTL1SLC6A7HTTNPSR1RAB9A
SCHEMBL2013896 0.91 MAPT (0.52) HTTNPSR1RAB9AKMT2AMAPT
SCHEMBL2014280 0.87 MEN1 (0.52) L3MBTL1HTTKMT2AMAPTLMNA
SCHEMBL2011832 0.87 L3MBTL1 (0.50) L3MBTL1SLC6A7HTTNPSR1RAB9A
SCHEMBL2015083 0.86 ALDH1A1 (0.54) L3MBTL1HTTNPSR1RAB9AKMT2A
SCHEMBL2015986 0.85 L3MBTL1 (0.48) L3MBTL1HTTNPSR1RAB9AKMT2A
SCHEMBL2015058 0.83 GBA1 (0.45) L3MBTL1HTTNPSR1RAB9AKMT2A
SCHEMBL2164023 0.82 L3MBTL1 (0.53) L3MBTL1SLC6A7HTTNPSR1RAB9A
SCHEMBL2011899 0.82 ALDH1A1 (0.44) L3MBTL1HTTNPSR1RAB9AKMT2A

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