SCHEMBL2237002

SCHEMBL2237002

C=CCN(C(N)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
RAB9A P51151 2/20 0.48
HSD11B1 P28845 2/20 0.45
C5AR1 P21730 1/20 0.43
S1PR1 P21453 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CNR2 P34972 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR55 Q9Y2T6 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
SCHEMBL11883795 0.90 HSD11B1 (0.45) ESR1RAB9AHSD11B1C5AR1S1PR1
SCHEMBL25702589 0.84 RAB9A (0.51) ESR1RAB9AHSD11B1C5AR1S1PR1
SCHEMBL11442731 0.83 HSD11B1 (0.63) ESR1RAB9AHSD11B1C5AR1S1PR1
SCHEMBL11283627 0.81 HSD11B1 (0.40) ESR1RAB9AHSD11B1C5AR1KMT2A
SCHEMBL8525251 0.80 HSD11B1 (0.50) HSD11B1KMT2AMEN1APOBEC3GTAS2R14
SCHEMBL30038589 0.78 HSD11B1 (0.49) ESR1HSD11B1KMT2AAPOBEC3GCNR2
SCHEMBL11435835 0.78 ESR1 (0.44) ESR1RAB9AHSD11B1C5AR1S1PR1
SCHEMBL11855662 0.78 RAB9A (0.49) ESR1RAB9AHSD11B1C5AR1KMT2A
SCHEMBL11435841 0.77 HSD11B1 (0.52) ESR1RAB9AHSD11B1S1PR1KMT2A
SCHEMBL11437067 0.77 CYP1A2 (0.43) ESR1RAB9AHSD11B1C5AR1S1PR1

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
US-7981402-B2 Alkyl benzene sulfonyl urea photostabilizers and UV-absorbers HALLSTAR INNOVATIONS CORP. (US) 2011-07-19 US disclosed