SCHEMBL10774609

SCHEMBL10774609

COC(=O)c1c(S(=O)(=O)Nc2c(Cl)cccc2Cl)nn2c(C(F)(F)F)cc(C)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
CYP1A2 P05177 4/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
GRM8 O00222 2/20 0.37
GRM7 Q14831 2/20 0.37
TACR1 P25103 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
SCHEMBL10774163 0.87 KDM4E (0.44) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL10778317 0.81 KDM4E (0.37) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL10778349 0.80 ALDH1A1 (0.35) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL9792974 0.78 KDM4E (0.53) HTTLMNATP53KDM4EALDH1A1
SCHEMBL10774016 0.78 HTR6 (0.41) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL10667098 0.77 TSHR (0.45) CYP1A2TP53CYP2C9KDM4EALDH1A1
SCHEMBL10775013 0.76 MAPT (0.46) HTTLMNATP53MAPTKDM4E
SCHEMBL10774102 0.75 HTR6 (0.44) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL10665580 0.74 TSHR (0.47) HTTALDH1A1
SCHEMBL10774291 0.74 ALDH1A1 (0.47) HTTLMNATP53KDM4EALDH1A1

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
EP-0244097-A2 Pyrazolopyrimidine herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1987-11-04 EP claimed
EP-0244097-A2 Pyrazolopyrimidine herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1987-11-04 EP disclosed