SCHEMBL24311147

SCHEMBL24311147

O=S(=O)(c1ccc(Br)cc1)c1cccc(F)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.44
HSD11B1 P28845 2/20 0.43
KMT2A Q03164 2/20 0.43
KAT6A Q92794 2/20 0.41
COMT P21964 2/20 0.39
HSD17B2 P37059 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL28312417 0.79 FEN1 (0.40) FEN1HSD11B1KMT2AKAT6AABCC9
SCHEMBL28028237 0.76 CA2 (0.50) FEN1HSD11B1KMT2ACA2CA1
SCHEMBL25802449 0.73 POLB (0.45) HSD11B1KAT6AHSD17B2CA2CA1
SCHEMBL28311435 0.73 FEN1 (0.36) FEN1HSD11B1KMT2AKAT6ACA2
SCHEMBL30394770 0.73 FEN1 (0.36) FEN1HSD11B1KMT2AKAT6ACA2
SCHEMBL2642086 0.71 ALB (0.44) HSD11B1ALBERN1
SCHEMBL2472588 0.71 CA2 (0.54) FEN1HSD11B1KMT2ACA2CA1
SCHEMBL12903976 0.70 HTR6 (0.57) FEN1KMT2AMMP1MMP2MMP9
SCHEMBL25020313 0.70 CCR2 (0.51) HSD11B1CNR2CNR1
SCHEMBL250285 0.69 CA2 (0.62) CA2CA1MMP1MMP2MMP9

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
WO-2022050164-A1 LIQUID CRYSTAL COMPOSITION AND ACTUATOR USING SAME ENEOS株式会社 2022-03-10 WO disclosed