SCHEMBL1289456

SCHEMBL1289456

C[N+](C)(CCCN)c1nc(Cc2cc3ccccc3o2)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ AGXT P21549 1/20 0.35
▸ BCHE P06276 7/20 0.34
▸ ACHE P22303 7/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2B P41595 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ TYMP P19971 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ DDAH1 O94760 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
SCHEMBL1289508 0.82 AGXT (0.41) LOXL2AGXTBCHEACHEBACE1
SCHEMBL4498559 0.69 APP (0.40) BCHEACHEBACE1MEN1KMT2A
Hydrochloric Acid SCHEMBL4509842 0.67 ITK (0.36) LOXL2MEN1KMT2AKDM4EALDH1A1
SCHEMBL16737085 0.66 PLAU (0.42) LOXL2BACE1MEN1KMT2AKDM4E
SCHEMBL5776752 0.65 LOXL2 (0.67) LOXL2AGXTL3MBTL1SMN1; SMN2HTR2B
SCHEMBL14075637 0.64 LOXL2 (0.69) LOXL2AGXTKDM4EHPGDL3MBTL1
SCHEMBL9826461 0.63 LOXL2 (0.65) LOXL2AGXTMAPTSMN1; SMN2HTR2B
SCHEMBL7796043 0.62 LOXL2 (0.62) LOXL2AGXTMAPTL3MBTL1SMN1; SMN2
SCHEMBL140395 0.61 LOXL2 (0.71) LOXL2AGXTSMN1; SMN2HTR2BHTR1A
SCHEMBL7806512 0.61 LOXL2 (0.60) LOXL2AGXTMEN1KMT2AALDH1A1

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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