SCHEMBL28050899

SCHEMBL28050899

O=C1C=C(c2cccc3nc4ccccc4cc23)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
PTBP1 P26599 1/20 0.44
RCE1 Q9Y256 1/20 0.44
MAPT P10636 3/20 0.39
ACHE P22303 1/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
PDE2A O00408 2/20 0.38
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 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
SCHEMBL929808 0.82 ALDH1A1 (0.41) KMT2AKDM4ERAB9AALDH1A1GAA
SCHEMBL929420 0.81 ALDH1A1 (0.40) KMT2AKDM4ERAB9AALDH1A1GAA
SCHEMBL2544260 0.80 PTPN1 (0.53) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL1050913 0.78 GSK3B (0.41) KMT2AKDM4EGAAPOLBMAPT
SCHEMBL4014126 0.76 KMT2A (0.64) KMT2AKDM4ERAB9AALDH1A1GAA
SCHEMBL4293393 0.75 KMT2A (0.45) KMT2AKDM4ERAB9AALDH1A1GAA
SCHEMBL27663126 0.75 PLAUR (0.41) KDM4ERAB9AALDH1A1GLAHPGD
SCHEMBL5414511 0.74 MAOA (0.39) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL10714445 0.74 PTPN1 (0.50) KDM4EALDH1A1GAAHPGDPOLB
Ammonia Solution, Strong SCHEMBL27943748 0.74 PLAUR (0.40) KDM4ERAB9AALDH1A1GLAHPGD

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
CN-105209616-A HCV NS3 recombinant antigen and mutants thereof for improved antibody detection ABBOTT LAB 2015-12-30 CN disclosed