SCHEMBL2014016

SCHEMBL2014016

O=CCc1cc(Cl)c2cccnc2c1N1CCN(C2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPSR1 Q6W5P4 5/20 0.41
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
NOD2 Q9HC29 1/20 0.41
METAP2 P50579 3/20 0.41
HTT P42858 5/20 0.40
HSP90AA1 P07900 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MPI P34949 2/20 0.39
HTR5A P47898 2/20 0.39
RAD52 P43351 1/20 0.38
HRH3 Q9Y5N1 1/20 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
SCHEMBL2013576 0.96 METAP2 (0.42) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2013361 0.95 METAP2 (0.43) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2013917 0.87 METAP2 (0.43) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2017119 0.84 METAP2 (0.42) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2012338 0.84 KDM4E (0.42) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2011899 0.84 ALDH1A1 (0.44) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2016552 0.84 METAP2 (0.43) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2012485 0.83 METAP2 (0.41) MAPTKDM4ESMN1; SMN2NPSR1LMNA
SCHEMBL2013524 0.83 HTR1A (0.42) KDM4ENPSR1LMNAL3MBTL1ALDH1A1
SCHEMBL2012631 0.83 MAPT (0.40) MAPTKDM4ESMN1; SMN2NPSR1LMNA

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