SCHEMBL5403764

SCHEMBL5403764

Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KEAP1 Q14145 2/20 0.32

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
SCHEMBL47574 0.91 ACHE (0.53) ACHELMNATSHRALOX12HPGD
SCHEMBL425893 0.91 ACHE (0.53) ACHELMNATSHRALOX12HPGD
SCHEMBL7159722 0.91 ACHE (0.44) ACHELMNATSHRALOX12TDP1
Bromide SCHEMBL3139967 0.88 ACHE (0.50) ACHELMNATSHRALOX12HPGD
Iodide SCHEMBL7090857 0.88 ACHE (0.50) ACHELMNATSHRALOX12HPGD
Bromide SCHEMBL136724 0.88 ACHE (0.50) ACHELMNATSHRALOX12HPGD
Iodide SCHEMBL2955653 0.88 ACHE (0.50) ACHELMNATSHRALOX12HPGD
Hydrochloric Acid SCHEMBL5709632 0.88 ACHE (0.50) ACHELMNATSHRALOX12HPGD
P-Xylene SCHEMBL4152294 0.88 ACHE (0.56) ACHELMNATSHRALOX12HPGD
SCHEMBL3144680 0.86 ACHE (0.43) ACHELMNATSHRALOX12HPGD

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-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed