SCHEMBL9422949

SCHEMBL9422949

CC(C)(C)c1cccc(C(C)(C)C)c1N(C(c1ccccc1)c1ccccc1)S(=O)(=O)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL7110163 0.73
SCHEMBL7108596 0.71 KEAP1 (0.34)
SCHEMBL7087009 0.69 TACR1 (0.38) ALDH1A1
SCHEMBL7464033 0.67 RBP4 (0.44) RBP4KDM4EALDH1A1
SCHEMBL7081979 0.66 ACLY (0.38) NPSR1ALDH1A1
SCHEMBL7088314 0.65 LMNA (0.35) ALDH1A1
SCHEMBL7085267 0.64 ALDH1A1 (0.36) RBP4CYP1A2ALDH1A1
SCHEMBL7084831 0.64 LMNA (0.35)
SCHEMBL9359388 0.64 CA2 (0.34) KDM4EALDH1A1
SCHEMBL27564761 0.64 ESR1 (0.42) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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
EP-0592439-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1994-04-20 EP disclosed
WO-1992008693-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1992-05-29 WO disclosed