SCHEMBL21698968

SCHEMBL21698968

Cc1cccc(C2=CC(c3ccccc3)CC(c3cccc(N)c3)=C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.36
ADORA1 P30542 1/20 0.34
KDM1A O60341 1/20 0.33
RAB9A P51151 9/20 0.33
ALDH1A1 P00352 8/20 0.33
NPC1 O15118 8/20 0.33
HPGD P15428 7/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
KDM4E B2RXH2 6/20 0.33
MAPT P10636 5/20 0.33
HSD17B10 Q99714 3/20 0.33
KMT2A Q03164 3/20 0.33
GFER P55789 2/20 0.33
MEN1 O00255 2/20 0.33
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL22563388 0.71 MGLL (0.47) ALDH1A1KDM4E
SCHEMBL22665208 0.70 MAOA (0.44) MAOARAB9AALDH1A1NPC1HPGD
SCHEMBL16201558 0.68 MAOB (0.35) MAOAMAOBADORA1KDM1ARAB9A
SCHEMBL30469297 0.68 MAOA (0.62) MAOARAB9AALDH1A1NPC1HPGD
SCHEMBL3804904 0.68 MAOA (0.62) MAOARAB9AALDH1A1NPC1HPGD
SCHEMBL12521940 0.68 ALDH1A1 (0.41) KDM1ARAB9AALDH1A1NPC1HPGD
SCHEMBL23656341 0.68 CFTR (0.35) MAOAMAOBKDM1AALDH1A1HSD17B10
SCHEMBL21764139 0.68 CFTR (0.35) MAOAMAOBKDM1AALDH1A1HSD17B10
SCHEMBL13447741 0.67 MAOA (0.69) MAOAADORA1RAB9AALDH1A1NPC1
SCHEMBL13448185 0.67 MAOA (0.60) MAOARAB9AALDH1A1NPC1HPGD

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
EP-3451403-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-12 EP disclosed