SCHEMBL2013609

SCHEMBL2013609

O=CCc1cc(Cl)c2cccnc2c1N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 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
KMT2A Q03164 3/20 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
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
METAP2 P50579 3/20 0.41
HTT P42858 6/20 0.40
NPC1 O15118 3/20 0.39
HSP90AA1 P07900 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 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
SCHEMBL2015414 0.85 SMN1; SMN2 (0.42) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2017119 0.85 METAP2 (0.42) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2016804 0.80 SLC6A7 (0.47) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2016552 0.80 METAP2 (0.43) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2012631 0.80 MAPT (0.40) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2163937 0.80 ALDH1A1 (0.41) RAB9ANPSR1KMT2AL3MBTL1NPC1
SCHEMBL2014016 0.80 MAPT (0.41) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2013917 0.79 METAP2 (0.43) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2017794 0.79 MAPT (0.61) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2015411 0.78 KDM4E (0.42) MAPTSMN1; SMN2KDM4ELMNATDP1

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