SCHEMBL484246

SCHEMBL484246

Nc1ccccc1-c1ccn2c(n1)nc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAD51 Q06609 2/20 0.39
CSNK1A1 P48729 1/20 0.39
CLK2 P49760 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ADORA2A P29274 5/20 0.39
PTPN2 P17706 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
SCHEMBL2162690 0.84 ADORA2A (0.46) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL31307044 0.82 LMNA (0.48) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL31307041 0.82 PTPN1 (0.49) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL484156 0.79 RAD51 (0.56) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL29892431 0.78 KDM4E (0.49) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL22633448 0.77 RAD51 (0.45) ALDH1A1KDM4ESMN1; SMN2RAD51CSNK1A1
SCHEMBL2163058 0.75 RAD51 (0.59) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL2162664 0.75 RAD51 (0.40) RAD51CSNK1A1CLK2LIMK1DYRK1A
SCHEMBL12403623 0.75 ADORA2A (0.41) RAD51CSNK1A1CLK2LIMK1DYRK1A
SCHEMBL2163292 0.75 RAD51 (0.40) RAD51CSNK1A1CLK2LIMK1DYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed