SCHEMBL29988930

SCHEMBL29988930

NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 5/20 0.45
PPARG P37231 1/20 0.41
CYP19A1 P11511 1/20 0.40
PTGS2 P35354 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CNR2 P34972 1/20 0.39
KIF11 P52732 2/20 0.39
KMT2A Q03164 1/20 0.39
PDPK1 O15530 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL27503112 0.80 KMT2A (0.48) PTGES2PTGS2CA12CA1CA2
SCHEMBL30988959 0.80 PTGES2 (0.46) PTGES2PTGS2CA12CA1CA2
SCHEMBL29988761 0.79 PTGES2 (0.48) PTGES2CA12CA1CA2CA9
SCHEMBL11118997 0.78 CA1 (0.44) PTGS2CA12CA1CA2CA9
SCHEMBL4670739 0.78 PPARG (0.46) PPARGCYP19A1CNR2KMT2AMAPT
SCHEMBL15270570 0.77 CA1 (0.43) PTGES2PTGS2CA12CA1CA2
SCHEMBL1700674 0.77 MEN1 (0.44) PTGS2CA12CA1CA2CA9
SCHEMBL27493651 0.77 KMT2A (0.58) PTGES2PTGS2CA12CA1CA2
SCHEMBL30988955 0.77 MEN1 (0.44) PTGS2CA12CA1CA2CA9
SCHEMBL20540623 0.76 TAS2R14 (0.41) KIF11KMT2ABCL2BCL2L1MAPT

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-112047865-B Method for synthesizing N-alkyl sulfonamide in water 南京理工大学 2022-12-02 CN disclosed