SCHEMBL28995308

SCHEMBL28995308

CCCSc1c(Br)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
HSD11B1 P28845 2/20 0.38
APLNR P35414 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PIEZO1 Q92508 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
P2RX7 Q99572 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.32
CA5A P35218 1/20 0.31
PRNP P04156 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28598622 0.86 HSD11B1 (0.46) ARHSD11B1APLNRKDM4ESMN1; SMN2
SCHEMBL6681359 0.81 AR (0.41) ARHSD11B1APLNRKDM4ECA1
SCHEMBL6680112 0.80 APLNR (0.42) ARAPLNRKDM4ECA1CA2
SCHEMBL28995384 0.80 AR (0.40) ARHSD11B1APLNRKDM4EPIEZO1
SCHEMBL23318473 0.79 AR (0.39) ARAPLNRKDM4ENOS3NOS1
SCHEMBL6679512 0.78 ATM (0.39) ARAPLNRKDM4EL3MBTL1
SCHEMBL28918938 0.76 HSD11B1 (0.38) ARHSD11B1PIEZO1CA1CA2
SCHEMBL28995377 0.74 AR (0.38) ARAPLNRKDM4ECA1CA2
SCHEMBL6676898 0.74 PIM1 (0.36) ARAPLNRKDM4EL3MBTL1
SCHEMBL27860909 0.72 AR (0.35) ARAPLNRKDM4E

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
CN-115703726-B Trifluoromethyl phenyl sulfide compound 上海泰初化工技术有限公司 2024-04-02 CN disclosed
CN-115703726-A Trifluoromethyl phenyl sulfide compound 上海泰初化工技术有限公司 2023-02-17 CN disclosed