SCHEMBL20057526

SCHEMBL20057526

CN(C)C(=O)Nc1ccccc1N(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KCNQ2 O43526 1/20 0.49
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.41
MASP2 O00187 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL30761772 0.86 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2HTTMASP2
SCHEMBL7089269 0.86 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2HTTMASP2
SCHEMBL27942887 0.85 ALDH1A1 (0.47) ALDH1A1TSHRHTTMASP2LMNA
SCHEMBL3648636 0.82 ALDH1A1 (0.57) ALDH1A1KCNQ2TSHRTP53GAA
SCHEMBL8779736 0.82 KCNQ2 (0.50) ALDH1A1KCNQ2TSHRTP53GAA
SCHEMBL2942491 0.82 KCNQ2 (0.50) ALDH1A1KCNQ2TSHRTP53GAA
SCHEMBL10814005 0.82 ALDH1A1 (0.44) ALDH1A1TSHRHTTMASP2LMNA
SCHEMBL11775098 0.81 KCNQ2 (0.52) ALDH1A1KCNQ2TSHRTP53GAA
SCHEMBL20324021 0.79 ALDH1A1 (0.68) ALDH1A1KCNQ2TSHRTP53GAA
SCHEMBL11741095 0.79 GPR35 (0.52) ALDH1A1KCNQ2TSHRTP53GAA

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
EP-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed