SCHEMBL30799696

SCHEMBL30799696

N#Cc1ccc(N)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 4/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 2/20 0.47
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
CASP1 P29466 2/20 0.42
CYP3A4 P08684 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
MDM4 O15151 1/20 0.41
GAA P10253 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL2028221 1.00 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL204121 0.82 KDM4E (0.69) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL30839883 0.82 KDM4E (0.69) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL5070146 0.80 MEN1 (0.48) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL29802150 0.80 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL615129 0.80 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2419320 0.78 ALDH1A1 (0.47) KDM4EALDH1A1USP2LMNAMAPT
Hydrochloric Acid SCHEMBL8435619 0.78 KDM4E (0.53) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL1156401 0.76 TRPV4 (0.57) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL1361840 0.76 KDM4E (0.52) KDM4EALDH1A1USP2LMNAMAPT

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-117700728-B Covalent triazine frame polymer based on ullmann reaction, and preparation method and application thereof 宁德师范学院 2024-11-12 CN disclosed
CN-117700728-A Covalent triazine frame polymer based on ullmann reaction, and preparation method and application thereof 宁德师范学院 2024-03-15 CN disclosed