SCHEMBL29005506

SCHEMBL29005506

O=[N+]([O-])c1ccnc(Nc2cccc(F)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 4/20 0.67
EGFR P00533 3/20 0.56
ROCK1 Q13464 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.50
RAB9A P51151 2/20 0.47
TNNI3K Q59H18 1/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 3/20 0.45
BCR P11274 3/20 0.45
PRKCA P17252 3/20 0.45
MAPK1 P28482 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL25371875 0.84 KMT2A (0.60) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL25371736 0.83 ROCK1 (0.52) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL29005456 0.82 ROCK1 (0.47) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL30285715 0.82 ROCK1 (0.47) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL25371959 0.81 EPAS1 (0.52) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL26310347 0.81 KMT2A (0.62) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL25371617 0.80 ROCK1 (0.52) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL25371664 0.78 TDO2 (0.51) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL25374104 0.78 MEN1 (0.46) MEN1KMT2AMAPTEGFRROCK1
SCHEMBL25375898 0.78 EGFR (0.47) MEN1KMT2AMAPTEGFRROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 CN disclosed
CN-115989218-A Use of N-phenylacetamides having P2X4 receptor antagonistic activity for the treatment of certain eye diseases 拜耳公司 2023-04-18 CN disclosed