SCHEMBL14949463

SCHEMBL14949463

Brc1cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc(C2C=CC=CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GP6 Q9HCN6 1/20 0.31

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
SCHEMBL18644481 0.87 GP6 (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL21202950 0.86 SLC6A2 (0.35) ALDH1A1
SCHEMBL24054463 0.82 MEN1 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL18902822 0.81 KDM4E (0.34) MEN1NPC1ALDH1A1MAPTHPGD
SCHEMBL19559922 0.80 L3MBTL1 (0.33) MEN1NPC1ALDH1A1MAPTHPGD
SCHEMBL14340015 0.79 ALDH1A1 (0.44) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24521359 0.79 NPC1 (0.41) MEN1NPC1ALDH1A1MAPTHPGD
SCHEMBL18677038 0.79 ADORA2A (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19791169 0.78 HTR2A (0.30)
SCHEMBL20648201 0.77 MEN1 (0.34) MEN1ALDH1A1MAPTHPGDHTT

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-2013069762-A1 CYCLIC AZINE COMPOUND HAVING NITROGEN-CONTAINING FUSED AROMATIC GROUP, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME AS CONSTITUENT COMPONENT 東ソー株式会社 (JP) 2013-05-16 WO disclosed