SCHEMBL1289508

SCHEMBL1289508

C[N+](C)(CCCN)c1nc(OCc2cc3ccccc3o2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ BCHE P06276 7/20 0.33
▸ ACHE P22303 7/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ TACR3 P29371 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ TACR1 P25103 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
SCHEMBL1289456 0.82 LOXL2 (0.40) AGXTLOXL2BCHEACHEBACE1
SCHEMBL4498559 0.69 APP (0.40) BCHEACHEBACE1KDM4EMEN1
Hydrochloric Acid SCHEMBL4506936 0.68 GPR55 (0.39) BCHEACHEKDM4EMEN1ALDH1A1
SCHEMBL16737085 0.67 PLAU (0.42) LOXL2BACE1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4509842 0.65 ITK (0.36) LOXL2KDM4EMEN1ALDH1A1MAPT
SCHEMBL13530236 0.63 AGXT (0.51) AGXTLOXL2KDM4EALDH1A1MAPT
SCHEMBL5776752 0.63 LOXL2 (0.67) AGXTLOXL2
SCHEMBL9826461 0.61 LOXL2 (0.65) AGXTLOXL2MAPT
SCHEMBL1520921 0.61 AGXT (1.00) AGXTLOXL2KDM4ESLC6A4
SCHEMBL14145540 0.61 AGXT (0.68) AGXTLOXL2KDM4EALDH1A1HPGD

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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