SCHEMBL8097571

SCHEMBL8097571

C[C@H](C(=O)c1ccccc1F)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 3/20 0.38
ACACB O00763 1/20 0.37
CMA1 P23946 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL8111202 0.89 KDM4E (0.37) KMT2ANPSR1ACACBHTTSMN1; SMN2
SCHEMBL8107284 0.87 PPARD (0.36) CMA1LMNAHTTPPARDPPARA
SCHEMBL8097559 0.84 ACACB (0.41) KMT2ANPSR1MEN1ACACBCMA1
SCHEMBL8873939 0.84 ACACB (0.41) KMT2ANPSR1MEN1ACACBCMA1
SCHEMBL8872841 0.83 ACACB (0.40) KMT2ANPSR1MEN1ACACBHTT
SCHEMBL8105512 0.83 ACACB (0.40) KMT2ANPSR1MEN1ACACBHTT
SCHEMBL8105299 0.79 ACACB (0.34) KMT2ANPSR1MEN1ACACBCMA1
SCHEMBL8105302 0.79 ACACB (0.34) KMT2ANPSR1MEN1ACACBCMA1
SCHEMBL8539086 0.76 ALDH1A1 (0.35) KMT2ANPSR1MEN1ACACBCMA1
SCHEMBL8539089 0.76 ALDH1A1 (0.35) KMT2ANPSR1MEN1ACACBCMA1

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 3 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
US-5677464-A Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0687672-A2 Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-20 EP disclosed