SCHEMBL28280419

SCHEMBL28280419

CC(=O)Nc1ccc(-n2cc(C(F)(F)F)cn2)c(S(N)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.44
KIF11 P52732 1/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
IDO1 P14902 1/20 0.40
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
XDH P47989 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
SCHEMBL29718834 1.00 IDH1 (0.44) IDH1KIF11CA2CA9CA12
SCHEMBL28280429 0.86 CA2 (0.42) CA2CA9CA12CA1IDO1
SCHEMBL28279236 0.84 ATAD2 (0.44) CA2CA9CA12CA1MAPT
SCHEMBL28280356 0.82 KDM1A (0.41) CA2CA9CA12CA1IDO1
SCHEMBL19551733 0.82 P2RX4 (0.44) CA2CA9CA12CA1KDM4E
SCHEMBL19552576 0.82 CA12 (0.50) CA2CA9CA12CA1SMN1; SMN2
SCHEMBL29718681 0.82 IDH1 (0.39) IDH1KIF11MAPTKDM4EIDO1
SCHEMBL19551962 0.82 P2RX4 (0.49) ALDH1A1
SCHEMBL19551966 0.81 P2RX4 (0.54) CA2CA9CA12CA1MAPT
SCHEMBL19551425 0.81 CA12 (0.52) CA2CA9CA12CA1MAPT

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-109415321-A aromatic sulfonamide derivatives 拜耳制药股份公司 2019-03-01 CN claimed
CN-109415321-A aromatic sulfonamide derivatives 拜耳制药股份公司 2019-03-01 CN disclosed