SCHEMBL2015476

SCHEMBL2015476

O=CCc1cc(Cl)c2cccnc2c1N1CCCC(CO)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
HTT P42858 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MPI P34949 2/20 0.40
HTR5A P47898 4/20 0.39
NPSR1 Q6W5P4 5/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
NOD2 Q9HC29 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK1 P06493 1/20 0.39
NPC1 O15118 3/20 0.38
HSP90AA1 P07900 2/20 0.38

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 0.88 METAP2 (0.43) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2014321 0.86 METAP2 (0.41) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2011739 0.85 METAP2 (0.43) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2017442 0.84 SLC40A1 (0.44) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2015905 0.84 METAP2 (0.39) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2018198 0.83 METAP2 (0.41) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2014721 0.82 MAPT (0.44) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2164172 0.82 NPC1 (0.41) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2013917 0.81 METAP2 (0.43) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2012724 0.80 METAP2 (0.39) METAP2MAPTKDM4ELMNASMN1; SMN2

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