SCHEMBL1289362

SCHEMBL1289362

C[N+](C)(CCCN)c1nc(-c2cc3ccccc3o2)nc2cccc(Br)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.38
▸ MAOA P21397 3/20 0.38
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL1289503 0.89 CNR2 (0.34) MAOBMAOAADORA2AADORA1GRM4
SCHEMBL1289478 0.88 CXCR1 (0.33) ADORA2AADORA1GRM4MAPTKDM4E
Hydrochloric Acid SCHEMBL1289492 0.76 MAPT (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12473323 0.73 GPR55 (0.39) MAOBMAOAMAPTKDM4EALDH1A1
SCHEMBL4498559 0.73 APP (0.40) MAPTKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4506936 0.72 GPR55 (0.39) MAOBMAOAMAPTKDM4EALDH1A1
SCHEMBL1289456 0.66 LOXL2 (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1289508 0.64 AGXT (0.41) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL12473322 0.64 PRMT7 (0.34) MAOBMAOAGRM4MAPTKDM4E
SCHEMBL1289427 0.64 LMNA (0.52) MAPTKDM4EALDH1A1SMN1; SMN2NPC1

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-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 — — WO disclosed
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