SCHEMBL28280356

SCHEMBL28280356

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
IDO1 P14902 1/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
MAOA P21397 1/20 0.38
ALDH1A1 P00352 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
NQO2 P16083 1/20 0.36
ENPP1 P22413 1/20 0.36
ENPP2 Q13822 1/20 0.36
F10 P00742 1/20 0.35
AMY1A P0DUB6 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35

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
SCHEMBL22353067 0.85 CA1 (0.34) CA2CA12CA1CA9PGR
SCHEMBL28280429 0.84 CA2 (0.42) IDO1CA2CA12CA1CA9
SCHEMBL28279236 0.84 ATAD2 (0.44) IDO1CA2CA12CA1CA9
SCHEMBL19551428 0.83 P2RX4 (0.47) ALDH1A1ENPP1KCNJ6KCNJ5KCNJ3
SCHEMBL29718834 0.82 IDH1 (0.44) IDO1CA2CA12CA1CA9
SCHEMBL28280419 0.82 IDH1 (0.44) IDO1CA2CA12CA1CA9
SCHEMBL28280449 0.82 LMNA (0.43) CA2CA12CA1CA9ALDH1A1
SCHEMBL19551485 0.82 LMNA (0.40) CA2CA12CA1CA9ALDH1A1
SCHEMBL19551645 0.82 P2RX4 (0.49) CA2CA12CA1CA9ALDH1A1
SCHEMBL19551617 0.81 P2RX4 (0.46) CA2CA12CA1CA9ALDH1A1

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