SCHEMBL2012009

SCHEMBL2012009

NCCc1cc(Cl)c2cccnc2c1N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SMO Q99835 3/20 0.45
SLC6A7 Q99884 3/20 0.44
NPY2R P49146 1/20 0.44
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
MPI P34949 1/20 0.43

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
SCHEMBL2015402 0.94 AKR1C3 (0.43) MAPTHTTSMN1; SMN2SLC6A7KMT2A
SCHEMBL2017795 0.92 MEN1 (0.52) MAPTHTTSMN1; SMN2KMT2ALMNA
SCHEMBL2011832 0.92 L3MBTL1 (0.50) MAPTHTTSMN1; SMN2SLC6A7KMT2A
SCHEMBL2012500 0.90 MAPT (0.52) MAPTHTTSMN1; SMN2KMT2ARAB9A
SCHEMBL2014194 0.89 L3MBTL1 (0.48) MAPTHTTSMN1; SMN2KMT2ARAB9A
SCHEMBL2016546 0.88 KDM4E (0.53) MAPTHTTSMN1; SMN2NPY2RKMT2A
SCHEMBL2016804 0.86 SLC6A7 (0.47) MAPTHTTSMN1; SMN2SMOSLC6A7
SCHEMBL2017545 0.85 GBA1 (0.43) MAPTHTTSMN1; SMN2KMT2ARAB9A
SCHEMBL2012195 0.84 ALDH1A1 (0.44) MAPTHTTSMN1; SMN2KMT2ARAB9A
SCHEMBL2017182 0.84 HTT (0.47) MAPTHTTSMN1; SMN2KMT2ARAB9A

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