SCHEMBL8555470

SCHEMBL8555470

O=C(Cl)c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM4 Q14833 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACACB O00763 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9745973 0.85 HTT (0.56) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL8553712 0.83 SMN1; SMN2 (0.52) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL17668770 0.79 KMT2A (0.47) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL6634317 0.79 KMT2A (0.50) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL9147011 0.78 MAPT (0.56) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL8917259 0.78 HTT (0.46) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL8917265 0.78 HTT (0.46) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL5384421 0.78 HTT (0.50) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL9578539 0.77 MAPT (0.51) HTTKMT2ASMN1; SMN2MAPTTSHR
SCHEMBL6639221 0.77 KMT2A (0.51) HTTKMT2ASMN1; SMN2MAPTTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617031-B1 Orally active azole derivates URIACH & CIA SA J (ES) 1998-09-16 EP disclosed
US-5760245-A FUNGICIDES J. URIACH & CIA S.A. (ES) 1998-06-02 US disclosed
US-5646294-A FUNGICIDES J. URIACH & CIA. S.A. (ES) 1997-07-08 US disclosed
US-5478826-A Fungicides for human, animal and plants J. URIACH & CIA. S.A. (ES) 1995-12-26 US disclosed
EP-0617031-A1 Orally active azole derivates J. URIACH & CIA. S.A. (ES) 1994-09-28 EP disclosed