SCHEMBL4746087

SCHEMBL4746087

Cc1cc(C)c(S(=O)(=O)NCC2CC2CNS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
NR2F2 P24468 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 6/20 0.48
FABP4 P15090 1/20 0.48
NR3C1 P04150 2/20 0.44
PGR P06401 2/20 0.44
NR3C2 P08235 2/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 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
SCHEMBL4746903 0.79 KMT2A (0.42) KMT2ACA1CA2MMP1MMP2
SCHEMBL5562243 0.77 L3MBTL1 (0.67) KMT2ACA1CA2MMP1MMP2
SCHEMBL3867855 0.76 CA1 (0.59) KMT2ACA1CA2MMP1MMP2
SCHEMBL4746098 0.74 ALDH1A1 (0.56) KMT2ACA1CA2MMP1MMP2
SCHEMBL8353239 0.74 CA1 (0.57) KMT2ACA1CA2MMP1MMP2
SCHEMBL5963342 0.74 FABP4 (0.76) KMT2ACA1CA2MMP1MMP2
SCHEMBL5963420 0.74 EPHX2 (0.60) KMT2AMEN1POLB
SCHEMBL3687291 0.73 L3MBTL1 (0.61) KMT2ACA1CA2MMP1MMP2
SCHEMBL31066637 0.71 CA1 (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL17101162 0.71 L3MBTL1 (0.59) KMT2ACA1CA2MMP1MMP2

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-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 WO disclosed