SCHEMBL28456571

SCHEMBL28456571

Fc1ccc(S(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ACHE P22303 1/20 0.42
SOS1 Q07889 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 3/20 0.38

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
SCHEMBL17416690 0.88 PKM (0.52) CA1CA2MMP2MMP1MMP9
SCHEMBL17714496 0.88 PKM (0.52) CA1CA2MMP2MMP1MMP9
SCHEMBL895617 0.76 CA1 (0.44) CA1CA2MMP2MMP1MMP9
SCHEMBL13499 0.76
SCHEMBL79787 0.73 HSD11B1 (0.55) CA1CA2MMP2MMP1MMP9
SCHEMBL13816740 0.73 ACHE (0.45) CA1CA2MMP2MMP1MMP9
SCHEMBL2121770 0.73 HSD11B1 (0.55) CA1CA2MMP2MMP1MMP9
SCHEMBL22172301 0.73 ACHE (0.45) CA1CA2MMP2MMP1MMP9
SCHEMBL4328574 0.73 HSD11B1 (0.55) CA1CA2MMP2MMP1MMP9
SCHEMBL1346329 0.71 MMP2 (0.52) CA1CA2MMP2MMP1MMP9

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
CN-111433675-A Pattern forming method, method for manufacturing transistor, and member for pattern formation 株式会社尼康 2020-07-17 CN disclosed