SCHEMBL12473328

SCHEMBL12473328

COc1ccc2[nH]c(-c3nc(C(N)CCN(C)C)c4cc(OC)ccc4n3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ ITK Q08881 2/20 0.39
▸ HTR6 P50406 5/20 0.39
▸ HTR1A P08908 4/20 0.39
▸ HTR1D P28221 4/20 0.39
▸ HTR7 P34969 4/20 0.39
▸ HTR5A P47898 4/20 0.39
▸ HTR1E P28566 3/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL12473443 0.92 KDM4E (0.41) KMT2AKDM4EMEN1NPC1MAPT
SCHEMBL12473416 0.92 KDM4E (0.46) KMT2AKDM4EMEN1NPC1MAPT
SCHEMBL12473326 0.82 KDM4E (0.42) KMT2AKDM4EMEN1NPC1MAPT
SCHEMBL12473301 0.79 APP (0.37) NPC1RAB9AHTR2CITK
SCHEMBL1289551 0.77 RAD52 (0.56) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL12473282 0.77 KDM1A (0.42) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL12473440 0.75 KDM4E (0.41) KMT2AKDM4EMEN1NPC1MAPT
SCHEMBL12473413 0.75 KMT2A (0.46) KMT2AKDM4EMEN1NPC1MAPT
SCHEMBL1289534 0.74 RAD52 (0.67) KMT2AKDM4EMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL4507613 0.73 RAD52 (0.69) KMT2AKDM4EMEN1MAPTLMNA

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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