SCHEMBL2017442

SCHEMBL2017442

O=CCc1cc(Cl)c2cccnc2c1N1CC[C@@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.44
METAP2 P50579 3/20 0.43
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
NPSR1 Q6W5P4 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 4/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
NOD2 Q9HC29 1/20 0.41
HTT P42858 6/20 0.41
ALDH1A1 P00352 3/20 0.41
MPI P34949 2/20 0.41
HSP90AA1 P07900 3/20 0.40
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39

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
SCHEMBL2013352 0.94 METAP2 (0.43) SLC40A1METAP2MAPTSMN1; SMN2KDM4E
SCHEMBL2018198 0.88 METAP2 (0.41) SLC40A1METAP2MAPTSMN1; SMN2KDM4E
SCHEMBL2018360 0.88 SLC40A1 (0.36) SLC40A1METAP2MAPTKDM4ELMNA
SCHEMBL2013917 0.86 METAP2 (0.43) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2012724 0.85 METAP2 (0.39) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2015107 0.85 MAPT (0.39) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2011479 0.84 METAP2 (0.43) SLC40A1METAP2MAPTSMN1; SMN2KDM4E
SCHEMBL2011476 0.84 METAP2 (0.43) SLC40A1METAP2MAPTSMN1; SMN2KDM4E
SCHEMBL2015476 0.84 METAP2 (0.42) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2014321 0.84 METAP2 (0.41) SLC40A1METAP2MAPTSMN1; SMN2KDM4E

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