SCHEMBL2012113

SCHEMBL2012113

COCCN1CCN(c2c(CC=O)cc(Cl)c3cccnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.46
HTT P42858 11/20 0.45
MAPT P10636 10/20 0.45
LMNA P02545 9/20 0.45
SMN1; SMN2 Q16637 9/20 0.45
KDM4E B2RXH2 8/20 0.45
TDP1 Q9NUW8 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MPI P34949 2/20 0.45
RAB9A P51151 7/20 0.43
NPSR1 Q6W5P4 7/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ACHE P22303 1/20 0.40

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
SCHEMBL2017794 0.87 MAPT (0.61) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2016454 0.85 METAP2 (0.47) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2019485 0.83 SMO (0.49) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2012485 0.82 METAP2 (0.41) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2165170 0.81 HTT (0.44) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2016552 0.80 METAP2 (0.43) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2014016 0.80 MAPT (0.41) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2013917 0.79 METAP2 (0.43) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2163681 0.79 METAP2 (0.42) METAP2HTTMAPTLMNASMN1; SMN2
SCHEMBL2017119 0.79 METAP2 (0.42) METAP2HTTMAPTLMNASMN1; 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