SCHEMBL4795645

SCHEMBL4795645

Cc1ccc(S(N)(=O)=O)c(CC2CO2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
PDIA6 Q15084 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
PTGES2 Q9H7Z7 5/20 0.36
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL909187 0.85 KMT2A (0.38) CA2KDM4EMEN1KMT2AALDH1A1
SCHEMBL909752 0.85 KMT2A (0.38) CA2KDM4EMEN1KMT2AALDH1A1
SCHEMBL537494 0.85 KMT2A (0.38) CA2KDM4EMEN1KMT2AALDH1A1
SCHEMBL27388777 0.82 KMT2A (0.36) CA2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3812470 0.79 MEN1 (0.34) CA2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3809686 0.79 MEN1 (0.34) CA2KDM4EMEN1KMT2AALDH1A1
SCHEMBL8908775 0.78 PRMT5 (0.46) CA2CA12CA1CA9MEN1
SCHEMBL8908779 0.78 PRMT5 (0.46) CA2CA12CA1CA9MEN1
SCHEMBL27283206 0.78 CTSB (0.46) CA2CA12CA1CA9PTGES2
SCHEMBL5153705 0.77 ALDH1A1 (0.33) CA2KDM4EMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312404-A1 Novel diepoxides and epoxy resins PEWS R GARTH 2008-12-18 US disclosed
US-7462728-B2 Diepoxide derivatives of N,N*-disubstituted disulfonamides PEWS R GARTH 2008-12-09 US disclosed
US-20060128978-A1 Diepoxide derivatives of N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 US disclosed