SCHEMBL2012282

SCHEMBL2012282

NCCc1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
KDM4E B2RXH2 7/20 0.40
LMNA P02545 6/20 0.40
TDP1 Q9NUW8 6/20 0.40
RAB9A P51151 6/20 0.40
NPSR1 Q6W5P4 6/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
NOD2 Q9HC29 1/20 0.40
METAP2 P50579 3/20 0.39
HTT P42858 7/20 0.38
NPC1 O15118 4/20 0.38
HSP90AA1 P07900 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL2013467 0.94 SMN1; SMN2 (0.41) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2011741 0.85 METAP2 (0.42) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2015791 0.85 METAP2 (0.42) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2015107 0.85 MAPT (0.39) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2011476 0.85 METAP2 (0.43) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2011479 0.85 METAP2 (0.43) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2019128 0.83 METAP2 (0.44) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2017653 0.82 METAP2 (0.40) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2015908 0.82 METAP2 (0.39) MAPTSMN1; SMN2KDM4ELMNATDP1
SCHEMBL2013738 0.81 SMN1; SMN2 (0.39) 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