SCHEMBL28918924

SCHEMBL28918924

O=S(=O)(O)c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
TYK2 P29597 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.38
HSD11B1 P28845 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SLC9A1 P19634 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
P2RX7 Q99572 1/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL795355 0.88 MEN1 (0.41) SLC22A12MEN1KMT2AHSD11B1CA1
SCHEMBL786275 0.83 MCL1 (0.43) MCL1TYK2SLC22A12MEN1KMT2A
SCHEMBL30605923 0.83 MCL1 (0.43) MCL1TYK2SLC22A12MEN1KMT2A
SCHEMBL30130315 0.81 MCL1 (0.42) MCL1TYK2SLC22A12MEN1KMT2A
SCHEMBL29183881 0.81 MCL1 (0.42) MCL1TYK2SLC22A12MEN1KMT2A
SCHEMBL440935 0.80 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2
SCHEMBL3197747 0.79 SLC22A12 (0.42) SLC22A12MEN1KMT2APTGS2HSD11B1
SCHEMBL28805396 0.78 CA1 (0.44) SLC22A12MEN1KMT2AHSD11B1L3MBTL1
SCHEMBL2127253 0.78 MEN1 (0.42) MEN1KMT2AHSD11B1SLC9A1CES1
SCHEMBL4306575 0.78 TTR (0.42) MEN1KMT2ACA1CA2CA7

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-115490622-A Trifluoromethyl thiophenol compound 上海泰初化工技术有限公司 2022-12-20 CN disclosed