SCHEMBL28306115

SCHEMBL28306115

CC(=O)Nc1[c]ccc(S(=O)(=O)Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 6/20 0.38
CA12 O43570 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 2/20 0.35
IDO1 P14902 2/20 0.35
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL197626 0.76 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4328076 0.76 DYRK1A (0.43) CA1CA2CA9KMT2AMEN1
SCHEMBL11754501 0.74 ALDH1A1 (0.47) CA1CA2CA9CA12KMT2A
SCHEMBL4696811 0.74 HSD17B10 (0.47) CA1CA2CA9CA12KMT2A
SCHEMBL7841883 0.74 ALDH1A1 (0.47) CA1CA2CA9CA12KMT2A
SCHEMBL1036779 0.73 PKM (0.57) PKMPOLBALDH1A1
SCHEMBL5782916 0.73 ALDH1A1 (0.42) KMT2AMEN1POLBALDH1A1
SCHEMBL7068909 0.73 ALDH1A1 (0.49) CA1CA2CA9CA12KMT2A
SCHEMBL5782169 0.73 DYRK1A (0.43) CA1CA2CA9PKMIDO1
SCHEMBL28813873 0.71 ALDH1A1 (0.39) ALDH1A1

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-110041216-A A kind of novel OAVS production system and technique 内蒙古利元科技有限公司 2019-07-23 CN disclosed