SCHEMBL30989668

SCHEMBL30989668

CCSc1cc(Br)cnc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTPN5 P54829 3/20 0.35
▸ PTPN2 P17706 2/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ HSPD1 P10809 2/20 0.34
▸ HSPE1 P61604 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 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
SCHEMBL25886484 1.00 UTRN (0.37) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL21589890 0.85 UTRN (0.35) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL25315137 0.84 UTRN (0.43) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL30989624 0.84 UTRN (0.43) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL23931457 0.81 UTRN (0.39) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL30260074 0.81 UTRN (0.39) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL23136589 0.75 UTRN (0.41) UTRNCYP1A2AHRHDAC6SMN1; SMN2
SCHEMBL15847456 0.74 UTRN (0.43) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL29431588 0.74 UTRN (0.43) UTRNCYP1A2AHRHDAC6LMNA
SCHEMBL23137420 0.73 UTRN (0.40) UTRNCYP1A2AHRHDAC6SMN1; SMN2

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-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 — — CN disclosed
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