SCHEMBL2017794

SCHEMBL2017794

O=CCc1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
KDM4E B2RXH2 7/20 0.61
HTT P42858 7/20 0.61
LMNA P02545 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
TDP1 Q9NUW8 5/20 0.61
MPI P34949 2/20 0.61
ALDH1A1 P00352 2/20 0.61
METAP2 P50579 3/20 0.48
RAB9A P51151 6/20 0.48
NPSR1 Q6W5P4 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
NOD2 Q9HC29 1/20 0.48
HSP90AA1 P07900 2/20 0.46
CDK1 P06493 1/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 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
SCHEMBL2012113 0.87 METAP2 (0.46) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2020116 0.84 KDM4E (0.62) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2014721 0.84 MAPT (0.44) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2016552 0.83 METAP2 (0.43) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2014016 0.82 MAPT (0.41) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2013917 0.82 METAP2 (0.43) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2019485 0.81 SMO (0.49) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2017119 0.81 METAP2 (0.42) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2013930 0.81 AKR1C3 (0.43) MAPTKDM4EHTTLMNASMN1; SMN2
SCHEMBL2016804 0.81 SLC6A7 (0.47) MAPTKDM4EHTTLMNASMN1; 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