SCHEMBL91977

SCHEMBL91977

O=S(=O)(c1ccc(OF)cc1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.59
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KIF11 P52732 2/20 0.44
PTPN1 P18031 2/20 0.43
EPAS1 Q99814 8/20 0.42
ESPL1 Q14674 1/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11507063 0.84 PTPRZ1 (0.61) PTPRZ1LMNASMN1; SMN2MAPK1HTT
SCHEMBL14345059 0.81 PKM (0.59) PTPRZ1LMNASMN1; SMN2MAPK1HTT
SCHEMBL8941529 0.79 PTPRZ1 (0.56) PTPRZ1LMNASMN1; SMN2MAPK1HTT
Sulfuric Acid SCHEMBL28495378 0.76 PKM (0.53) PTPRZ1HTTALDH1A1KIF11KMT2A
SCHEMBL20314687 0.76 PTPRZ1 (0.67) PTPRZ1LMNASMN1; SMN2MAPK1HTT
SCHEMBL19389583 0.76 PTPRZ1 (0.67) PTPRZ1LMNASMN1; SMN2MAPK1HTT
SCHEMBL11060588 0.76 PTPRZ1 (0.53) PTPRZ1LMNAMAPK1HTTALDH1A1
SCHEMBL6000294 0.75 PTPRZ1 (1.00) PTPRZ1PTPN1
SCHEMBL1886221 0.75 MAPT (0.65) PTPRZ1LMNASMN1; SMN2ALDH1A1KIF11
SCHEMBL8941541 0.75 PTPRZ1 (0.51) PTPRZ1SMN1; SMN2HTTALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed