SCHEMBL29451640

SCHEMBL29451640

CNc1cc(S(=O)(=O)N(C)C)c(C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
PDE4A P27815 1/20 0.40
BLM P54132 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE7B Q9NP56 1/20 0.40
KCNJ6 P48051 8/20 0.38
KCNJ3 P48549 8/20 0.38
KCNJ5 P48544 7/20 0.38
TSHR P16473 2/20 0.36

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
SCHEMBL29451374 0.93 ALDH1A1 (0.44) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29451695 0.82 ALDH1A1 (0.52) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29451707 0.76 ALDH1A1 (0.46) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29452037 0.75 ALDH1A1 (0.52) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29452089 0.73 TSHR (0.54) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29451740 0.72 ALDH1A1 (0.46) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29452058 0.72 ALDH1A1 (0.52) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6983173 0.71 TSHR (0.50) ALDH1A1CYP3A4ALOX15TSHRGLA
SCHEMBL13462383 0.71 ALDH1A1 (0.51) ALDH1A1LMNANPC1SMN1; SMN2MAPT
SCHEMBL7212568 0.71 ALDH1A1 (0.59) ALDH1A1PDE2APDE5ACYP3A4ALOX15

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