SCHEMBL29451612

SCHEMBL29451612

COc1cc(C)c(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
TSHR P16473 2/20 0.52
GLA P06280 1/20 0.52
PDE2A O00408 1/20 0.52
PDE5A O76074 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
APEX1 P27695 1/20 0.52
PDE4A P27815 1/20 0.52
BLM P54132 1/20 0.52
PDE1B Q01064 1/20 0.52
PMP22 Q01453 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE7A Q13946 1/20 0.52
PDE1C Q14123 1/20 0.52
PDE7B Q9NP56 1/20 0.52
POLB P06746 3/20 0.50
MEN1 O00255 4/20 0.42

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
SCHEMBL7212524 1.00 ALDH1A1 (0.52) ALDH1A1TSHRGLAPDE2APDE5A
SCHEMBL7212541 0.83 ALDH1A1 (0.48) ALDH1A1TSHRGLAPDE2APDE5A
SCHEMBL7212793 0.83 ALDH1A1 (0.59) ALDH1A1TSHRGLAPDE2APDE5A
SCHEMBL29451339 0.82 TRPV4 (0.41) ALDH1A1TSHRGLACYP3A4ALOX15
SCHEMBL7213957 0.81 ALDH1A1 (0.46) ALDH1A1TSHRGLAPDE2APDE5A
SCHEMBL29451638 0.79 ALDH1A1 (0.59) ALDH1A1TSHRPDE2APDE5ACYP3A4
SCHEMBL7212546 0.79 ALDH1A1 (0.55) ALDH1A1TSHRPDE2APDE5ACYP3A4
SCHEMBL7212568 0.79 ALDH1A1 (0.59) ALDH1A1TSHRPDE2APDE5ACYP3A4
SCHEMBL7212867 0.79 ALDH1A1 (0.55) ALDH1A1TSHRPDE2APDE5ACYP3A4
SCHEMBL29451866 0.79 VCAM1 (0.59) ALDH1A1TSHRGLAPDE2APDE5A

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-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed