SCHEMBL2018508

SCHEMBL2018508

NCCc1cc(Cl)c2cccnc2c1N1CCC(CO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 5/20 0.43
TDP1 Q9NUW8 5/20 0.43
HTT P42858 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MPI P34949 1/20 0.43
METAP2 P50579 3/20 0.43
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
HTR5A P47898 2/20 0.41
HSP90AA1 P07900 3/20 0.40
NPC1 O15118 3/20 0.39
TP53 P04637 2/20 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
SCHEMBL2015395 0.92 MAPT (0.44) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2019128 0.88 METAP2 (0.44) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2011739 0.88 METAP2 (0.43) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2011476 0.85 METAP2 (0.43) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2011479 0.85 METAP2 (0.43) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2013467 0.84 SMN1; SMN2 (0.41) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2011771 0.84 METAP2 (0.41) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2015070 0.84 METAP2 (0.40) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2012338 0.84 KDM4E (0.42) KDM4EMAPTSMN1; SMN2LMNATDP1
SCHEMBL2015791 0.84 METAP2 (0.42) KDM4EMAPTSMN1; SMN2LMNATDP1

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