SCHEMBL6944585

SCHEMBL6944585

[CH2]c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
CFTR P13569 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
ACACB O00763 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 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
SCHEMBL1710061 0.81 KMT2A (0.51) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3885645 0.81 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7769868 0.81 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5384421 0.81 HTT (0.50) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9823871 0.80 HTT (0.44) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7684463 0.80 CFTR (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1119471 0.79 ALDH1A1 (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL507033 0.78 MAOB (0.50) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6637857 0.78 HTT (0.45) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8560939 0.78 HTT (0.48) HTTKMT2ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP disclosed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO disclosed