SCHEMBL7990679

SCHEMBL7990679

Cc1ccc(S(=O)(=O)n2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
KDR P35968 8/20 0.54
HTR6 P50406 5/20 0.52
FLT1 P17948 4/20 0.51
FLT4 P35916 4/20 0.51
KDM4E B2RXH2 1/20 0.47
UBE2N P61088 1/20 0.47
CYP19A1 P11511 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CYP2A6 P11509 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL20561500 0.88 L3MBTL1 (0.73) L3MBTL1HTR6KDM4EUBE2NCYP19A1
SCHEMBL20564256 0.79 HTR6 (0.72) L3MBTL1HTR6CA12CA1CA2
SCHEMBL20562314 0.75 HTR6 (0.54) L3MBTL1HTR6KDM4EUBE2NCA12
SCHEMBL26911844 0.73 L3MBTL1 (0.70) L3MBTL1HTR6KDM4EUBE2NCYP19A1
SCHEMBL15805357 0.73 PTPN11 (0.46) L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL15805355 0.73 PTPN11 (0.48) L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL15805344 0.72 PTPN11 (0.45) L3MBTL1KDRSLC1A3SLC1A2SLC1A1
SCHEMBL7549872 0.71 KDR (0.81) KDRFLT1FLT4CYP2A6
SCHEMBL28984412 0.71 L3MBTL1 (0.77) L3MBTL1HTR6KDM4EUBE2NCA12
SCHEMBL25422336 0.70 HTR6 (0.61) L3MBTL1HTR6KDM4EUBE2NCYP19A1

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
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed