SCHEMBL12473413

SCHEMBL12473413

COc1ccc2[nH]c(-c3nc(C(CCN)N(C)C)c4ccccc4n3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ITK Q08881 3/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ CYP1A2 P05177 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL12473326 0.92 KDM4E (0.42) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL12473440 0.89 KDM4E (0.41) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL12473298 0.87 APP (0.37) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL12473416 0.83 KDM4E (0.46) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL12473328 0.75 KMT2A (0.42) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL12473441 0.74 KMT2A (0.42) KMT2AKDM4EMAPTMEN1CNR2
SCHEMBL12473317 0.74 KDM4E (0.42) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL12473279 0.74 KDM1A (0.42) KMT2AKDM4EMAPTMEN1NPC1
SCHEMBL1289534 0.72 RAD52 (0.67) KMT2AKDM4EMAPTMEN1CYP1A2
SCHEMBL12473443 0.72 KDM4E (0.41) KMT2AKDM4EMAPTMEN1NPC1

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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