SCHEMBL5796892

SCHEMBL5796892

O=S(=O)(Nc1c(F)cccc1F)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
IL1RN P18510 1/20 0.55
KEAP1 Q14145 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
FFAR4 Q5NUL3 2/20 0.55
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYTH2 Q99418 1/20 0.51
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KAT6A Q92794 1/20 0.47

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
SCHEMBL8097925 0.83 CYP19A1 (0.59) PKMFFAR4TSHRALDH1A1HPGD
SCHEMBL6073365 0.82 KEAP1 (0.57) PKMIL1RNKEAP1ERAP1FFAR4
SCHEMBL399983 0.80 AKR1C3 (0.59) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL2568299 0.80 RECQL (0.58) IL1RNKEAP1ERAP1TSHRALDH1A1
SCHEMBL6760868 0.79 RECQL (0.57) PKMIL1RNKEAP1ERAP1TSHR
SCHEMBL31681427 0.78 FFAR4 (0.60) PKMFFAR4TSHRALDH1A1MEN1
SCHEMBL5822638 0.78 FFAR4 (0.72) PKMIL1RNKEAP1ERAP1FFAR4
SCHEMBL10625562 0.77 KEAP1 (0.46) KEAP1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL16830242 0.77 TSHR (0.68) KEAP1FFAR4TSHRALDH1A1KMT2A
SCHEMBL6817587 0.76 KEAP1 (0.56) PKMIL1RNKEAP1ERAP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed