SCHEMBL2015395

SCHEMBL2015395

NCCc1cc(Cl)c2cccnc2c1N1CCC(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KDM4E B2RXH2 7/20 0.44
HTT P42858 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 6/20 0.44
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MPI P34949 2/20 0.44
METAP2 P50579 3/20 0.42
NPSR1 Q6W5P4 6/20 0.40
KMT2A Q03164 6/20 0.40
RAB9A P51151 5/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CDK1 P06493 1/20 0.40
USP2 O75604 1/20 0.40
NOD2 Q9HC29 1/20 0.40
HTR5A P47898 2/20 0.39
HSP90AA1 P07900 3/20 0.39
NPC1 O15118 4/20 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
SCHEMBL2018508 0.92 KDM4E (0.43) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2019128 0.86 METAP2 (0.44) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2014721 0.85 MAPT (0.44) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2011479 0.83 METAP2 (0.43) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2011476 0.83 METAP2 (0.43) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2020116 0.83 KDM4E (0.62) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2013467 0.82 SMN1; SMN2 (0.41) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2011771 0.82 METAP2 (0.41) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2015070 0.82 METAP2 (0.40) MAPTKDM4EHTTSMN1; SMN2LMNA
SCHEMBL2015791 0.82 METAP2 (0.42) MAPTKDM4EHTTSMN1; SMN2LMNA

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