SCHEMBL27570577

SCHEMBL27570577

CC1C=C(S(=O)(=O)Cc2ccccc2Br)C(Br)=CC1(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HCRTR2 O43614 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL27547821 0.86 P2RX7 (0.33) KMT2A
SCHEMBL27547826 0.84 DDR1 (0.34)
SCHEMBL27577855 0.84 TP53 (0.31) ALDH1A1
SCHEMBL27550066 0.83 EED (0.33)
SCHEMBL27547825 0.83 KDM4E (0.32)
SCHEMBL27567991 0.83 KDM4E (0.32)
SCHEMBL27568182 0.82 KMT2A (0.31) KMT2A
SCHEMBL27680765 0.77
SCHEMBL27547827 0.74
SCHEMBL27506696 0.65

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-1319963-C Dihydrothiaphenanthrenecarbonylguanidines: composition, process of making, and use as medicament or diagnostic aid AVENTIS PHARMACEUTICAL GERMANY (DE) 2007-06-06 CN disclosed
CN-1630649-A Dihydrothiaphenanthrenecarbonylguanidines: composition, process of making, and use as medicament or diagnostic aid AVENTIS PHARMACEUTICAL GERMANY (DE) 2005-06-22 CN disclosed