SCHEMBL2016552

SCHEMBL2016552

O=CCc1cc(Cl)c2cccnc2c1N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
RAB9A P51151 5/20 0.41
NPSR1 Q6W5P4 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
NOD2 Q9HC29 1/20 0.41
HTT P42858 6/20 0.41
MPI P34949 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 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
SCHEMBL2017535 0.86 MAPT (0.41) MAPTKDM4EL3MBTL1MPIALDH1A1
SCHEMBL2013917 0.85 METAP2 (0.43) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2017119 0.84 METAP2 (0.42) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2014016 0.84 MAPT (0.41) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2017794 0.83 MAPT (0.61) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2012631 0.82 MAPT (0.40) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2012485 0.82 METAP2 (0.41) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2013576 0.82 METAP2 (0.42) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2018198 0.81 METAP2 (0.41) METAP2MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2013361 0.81 METAP2 (0.43) METAP2MAPTSMN1; SMN2KDM4ELMNA

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