SCHEMBL9252055

SCHEMBL9252055

CCOC(=O)C(=O)c1ncn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ACACB O00763 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 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
SCHEMBL9920430 0.82 ALDH1A1 (0.47) KDM4ECYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL22372303 0.71 CYP1A2 (0.39) KDM4ECYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL18605681 0.70 CA12 (0.37) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL29111666 0.69 LMNA (0.54) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL22372125 0.68 TSHR (0.46) KDM4ECYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL1625704 0.68 POLB (0.50) KDM4ECYP1A2L3MBTL1ALDH1A1MEN1
SCHEMBL22372238 0.67 L3MBTL1 (0.40) KDM4ECYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL5246921 0.67 ALDH1A1 (0.40) CYP2C19CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL9248449 0.67 KDM4E (0.38) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10456119 0.66 KDM4E (0.63) KDM4EALDH1A1KMT2ASMN1; SMN2TP53

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-0636135-A1 TRIAZOLE COMPOUNDS Japat Ltd (CH) 1995-02-01 EP disclosed
WO-1992019629-A1 TRIAZOLE COMPOUNDS JAPAT LTD. (CH) 1992-11-12 WO disclosed