SCHEMBL2014589

SCHEMBL2014589

NCCc1cc(Cl)c2cccnc2c1N1CCC[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
KCNMA1 Q12791 1/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
RAB9A P51151 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
NOD2 Q9HC29 1/20 0.40
HTT P42858 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MPI P34949 2/20 0.40
NPC1 O15118 4/20 0.40
HSP90AA1 P07900 3/20 0.39
TP53 P04637 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
SCHEMBL2014591 1.00 METAP2 (0.44) METAP2KCNMA1MAPTKDM4ELMNA
SCHEMBL2011479 0.94 METAP2 (0.43) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2011476 0.94 METAP2 (0.43) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2011739 0.88 METAP2 (0.43) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2054343 0.88 METAP2 (0.42) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2012021 0.85 METAP2 (0.40) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2013352 0.85 METAP2 (0.43) METAP2KCNMA1MAPTKDM4ELMNA
SCHEMBL2015791 0.84 METAP2 (0.42) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2011741 0.84 METAP2 (0.42) METAP2MAPTKDM4ELMNASMN1; SMN2
SCHEMBL2014290 0.82 KDM4E (0.36) METAP2KCNMA1MAPTKDM4ELMNA

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