SCHEMBL9997508

SCHEMBL9997508

Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c(C)c1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.81
HSD17B10 Q99714 3/20 0.76
HPGD P15428 4/20 0.61
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
PTPN5 P54829 1/20 0.58
PFKFB3 Q16875 2/20 0.57
MAP1LC3B Q9GZQ8 1/20 0.53
LMNA P02545 2/20 0.52
BRD4 O60885 1/20 0.52
BRPF1 P55201 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MCL1 Q07820 2/20 0.51
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL9996982 0.90 ALDH1A1 (0.81) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9997320 0.86 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9996886 0.85 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9996954 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL1130086 0.82 MCL1 (0.68) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9997030 0.81 PFKFB3 (0.70) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9997031 0.80 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9997334 0.80 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9997289 0.79 PFKFB3 (0.61) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL9997057 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDKMT2AMEN1

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-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed