SCHEMBL2012338

SCHEMBL2012338

NCCc1cc(Cl)c2cccnc2c1N1CCN(C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TDP1 Q9NUW8 5/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
NOD2 Q9HC29 1/20 0.42
METAP2 P50579 3/20 0.42
HTT P42858 4/20 0.41
HSP90AA1 P07900 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MPI P34949 1/20 0.40
RAD52 P43351 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 3/20 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
SCHEMBL2015675 0.96 METAP2 (0.43) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2017390 0.95 METAP2 (0.44) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2019128 0.87 METAP2 (0.44) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2016017 0.84 METAP2 (0.45) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2018094 0.84 HTR1A (0.43) KDM4ELMNAL3MBTL1NPSR1HTT
SCHEMBL2014016 0.84 MAPT (0.41) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2018508 0.84 KDM4E (0.43) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2016713 0.83 METAP2 (0.42) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2013467 0.83 SMN1; SMN2 (0.41) KDM4ELMNAMAPTSMN1; SMN2TDP1
SCHEMBL2015070 0.83 METAP2 (0.40) KDM4ELMNAMAPTSMN1; SMN2TDP1

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