SCHEMBL7738415

SCHEMBL7738415

Cc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc(Br)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.60
MMP1 P03956 5/20 0.59
MMP2 P08253 4/20 0.59
MMP9 P14780 4/20 0.59
MMP8 P22894 4/20 0.59
MMP13 P45452 4/20 0.59
MAPT P10636 5/20 0.57
TP53 P04637 2/20 0.57
BMP1 P13497 2/20 0.57
MMP3 P08254 1/20 0.54
THRB P10828 1/20 0.54
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAS2R14 Q9NYV8 1/20 0.53
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL26769801 0.95 MEP1B (0.65) MEP1BMMP1MMP2MMP9MMP8
SCHEMBL25225813 0.87 TAS2R14 (0.59) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6411677 0.86 MEP1B (0.79) MEP1BMMP1MMP2MMP9MMP8
SCHEMBL25220429 0.86 TAS2R14 (0.54) MAPTTP53TAS2R14KMT2AMEN1
SCHEMBL25219555 0.82 ALDH1A1 (0.58) MAPTTP53TAS2R14KMT2AMEN1
SCHEMBL26769878 0.82 MEP1B (0.66) MEP1BMMP1MMP2MMP9MMP8
SCHEMBL10144135 0.81 MAPT (0.64) MAPTTP53THRBSMN1; SMN2LMNA
SCHEMBL7348906 0.81 MEP1B (0.86) MEP1BMMP1MMP2MMP9MMP8
SCHEMBL7347286 0.79 MMP3 (0.76) MEP1BMMP1MMP2MMP9MMP8
SCHEMBL2845552 0.78 MEP1B (0.68) MEP1BMMP1MMP2MMP9MMP8

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
US-6416861-B1 COMBINATORIAL CHEMISTRY NORTHWESTERN UNIVERSITY 2002-07-09 US disclosed
WO-2000049022-A2 ORGANOSILICON COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2000-08-24 WO disclosed