SCHEMBL11267055

SCHEMBL11267055

CC(C)c1cnc(NS(=O)(=O)c2ccccc2N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 2/20 0.45
RELA Q04206 2/20 0.45
SLC40A1 Q9NP59 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
CA9 Q16790 2/20 0.41
AURKA O14965 1/20 0.41
DHFR P00374 1/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL11269034 0.84 SLC40A1 (0.49) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL10711350 0.80 LMNA (0.62) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL3837982 0.80 NFKBIA (0.60) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL10888517 0.79 NFKBIA (0.58) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL11267052 0.78 LMNA (0.67) MEN1KMT2ATDP1LMNAAURKA
SCHEMBL11272841 0.77 NFKBIA (0.48) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL6557188 0.76 SLC40A1 (0.48) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL3644476 0.72 TSHR (0.62) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL2986277 0.71 NPSR1 (0.65) NFKBIARELASLC40A1MEN1KMT2A
SCHEMBL8864437 0.71 NFKBIA (0.51) NFKBIARELASLC40A1MEN1KMT2A

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-4333936-A Novel amidino-benzylpyrimidines, processes for their manufacture and antibacterial and antiprotozoal use thereof BASF AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
EP-0000336-A1 N-benzylpyrimidinyl-amidines, process for their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1979-01-24 EP disclosed