SCHEMBL8560939

SCHEMBL8560939

[O]Cc1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
PTPRZ1 P23471 2/20 0.37
ACACB O00763 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35

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
SCHEMBL6637857 0.82 HTT (0.45) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL507033 0.82 MAOB (0.50) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28724030 0.79 HTT (0.48) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5382500 0.78 APP (0.53) HTTKMT2ASMN1; SMN2MAPTPOLB
SCHEMBL6944585 0.78 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3885645 0.78 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7769868 0.78 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8560561 0.78 PTPRZ1 (0.39) SMN1; SMN2MAPTUSP2TSHRPTPRZ1
SCHEMBL1710061 0.78 KMT2A (0.51) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5384421 0.78 HTT (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866793-A4 1998-10-07 EP disclosed
EP-0866793-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1998-09-30 EP disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 WO disclosed