SCHEMBL3797786

SCHEMBL3797786

Cc1ccc(S(=O)(=O)n2ccc3c(C)c(CO)cnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
HTR6 P50406 5/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
CYP19A1 P11511 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
ALDH3A1 P30838 1/20 0.39
HTT P42858 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
AGTR1 P30556 1/20 0.38
ALK Q9UM73 1/20 0.38
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 1/20 0.37
PTPN11 Q06124 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL20488209 0.84 L3MBTL1 (0.55) L3MBTL1HTR6CA1CA2RAPGEF4
SCHEMBL28335381 0.81 L3MBTL1 (0.51) L3MBTL1HTR6CA1CA2RAPGEF4
SCHEMBL1934468 0.79 ALDH1A1 (0.39) L3MBTL1NOD1VEGFAEGLN1KDM4E
SCHEMBL3797631 0.79 KDM4E (0.51) L3MBTL1CA1CA2NOD1KDM4E
SCHEMBL28554876 0.78 L3MBTL1 (0.48) L3MBTL1HTR6CA1CA2RAPGEF4
SCHEMBL30213799 0.78 L3MBTL1 (0.48) L3MBTL1HTR6CA1CA2RAPGEF4
SCHEMBL10008513 0.77 L3MBTL1 (0.50) L3MBTL1HTR6CA1CA2RAPGEF4
SCHEMBL18855947 0.76 HTR6 (0.49) L3MBTL1HTR6RAPGEF4BRD4POLB
SCHEMBL1933398 0.76 L3MBTL1 (0.44) L3MBTL1HTR6CA1CA2RAPGEF4
SCHEMBL20488438 0.76 HTR6 (0.48) L3MBTL1HTR6RAPGEF4CYP19A1POLB

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-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed