SCHEMBL7720726

SCHEMBL7720726

CC(C)C(=O)Oc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.44
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.31
ACACB O00763 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 1/20 0.30

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
SCHEMBL7721785 0.90 MAPT (0.44) ELANECYP11B1CYP11B2POLBMAPT
SCHEMBL7724572 0.89 ELANE (0.44) ELANECYP11B1CYP11B2TDP1MAPT
SCHEMBL7724582 0.87 ELANE (0.47) ELANECYP11B1CYP11B2TDP1POLB
SCHEMBL7724550 0.86 ELANE (0.53) ELANETDP1POLBMAPTPKM
SCHEMBL7721700 0.85 ELANE (0.42) ELANETDP1POLBMAPTPKM
SCHEMBL7721776 0.84 KMT2A (0.43) ELANECYP11B1CYP11B2MAPTPKM
SCHEMBL7695885 0.83 MMP2 (0.37) ELANECYP11B1CYP11B2SMN1; SMN2CA2
SCHEMBL7722363 0.81 ELANE (0.43) ELANETDP1POLBMAPTPKM
SCHEMBL7690054 0.81 MMP2 (0.40) CYP11B1CYP11B2SMN1; SMN2MMP2MMP9
SCHEMBL7717492 0.80 ELANE (0.46) ELANETDP1POLBMAPTPKM

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-6395446-B1 CONTAINING SULFONYLDIAZOMETHANE COMPOUND AS ACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-05-28 US disclosed