SCHEMBL8097580

SCHEMBL8097580

C[C@H](C(=O)Cl)n1ncn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PPARD Q03181 12/20 0.40
PPARA Q07869 12/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 5/20 0.35
DGAT1 O75907 2/20 0.34

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
SCHEMBL8097528 0.91 MAPT (0.41) MAPTPPARDPPARAHTTSMN1; SMN2
SCHEMBL8097549 0.82 ABCB11 (0.37) MAPTPPARDPPARAHTTSMN1; SMN2
SCHEMBL8105512 0.82 ACACB (0.40) MAPTPPARDPPARAHTTSMN1; SMN2
SCHEMBL8872841 0.82 ACACB (0.40) MAPTPPARDPPARAHTTSMN1; SMN2
SCHEMBL8872636 0.75 HTT (0.40) HTTSMN1; SMN2KMT2AACACBALDH1A1
SCHEMBL8097530 0.74 CYP3A4 (0.38) MAPTLMNA
SCHEMBL8097526 0.74 CYP3A4 (0.38) MAPTLMNA
SCHEMBL8097559 0.74 ACACB (0.41) MAPTPPARDPPARAHTTSMN1; SMN2
SCHEMBL8873939 0.74 ACACB (0.41) MAPTPPARDPPARAHTTSMN1; SMN2
SCHEMBL7682361 0.74 HTT (0.38) MAPTPPARDPPARAHTTSMN1; SMN2

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-1033367-A2 Process for the preparation of optically active triazole derivatives and their imidazolidin-2-one intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-06 EP disclosed
EP-0687672-A2 Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-20 EP disclosed