SCHEMBL28598622

SCHEMBL28598622

CCCSc1c(-c2ccccc2Br)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.46
APLNR P35414 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CTSK P43235 2/20 0.34
CRHR1 P34998 5/20 0.34
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 1/20 0.33
TACR1 P25103 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CTSS P25774 1/20 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
SCHEMBL28995308 0.86 AR (0.40) HSD11B1APLNRARKDM4ESMN1; SMN2
SCHEMBL28588663 0.80 HSD11B1 (0.48) HSD11B1CRHR1TACR1SMN1; SMN2
SCHEMBL6681359 0.75 AR (0.41) HSD11B1APLNRARKDM4ESMN1; SMN2
SCHEMBL28995384 0.74 AR (0.40) HSD11B1APLNRARKDM4ECTSK
SCHEMBL6680112 0.74 APLNR (0.42) APLNRARKDM4E
SCHEMBL23318473 0.73 AR (0.39) APLNRARKDM4E
SCHEMBL1263973 0.72 HSD11B1 (0.59) HSD11B1ARSMN1; SMN2
SCHEMBL6679512 0.72 ATM (0.39) APLNRARKDM4ETP53MEN1
SCHEMBL28291241 0.70 AR (0.44) HSD11B1APLNRARKDM4E
SCHEMBL6676898 0.69 PIM1 (0.36) APLNRARKDM4E

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-112939818-B Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride 江苏扬农化工股份有限公司 2022-05-24 CN disclosed
CN-112939818-A Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride 江苏扬农化工股份有限公司 2021-06-11 CN disclosed