SCHEMBL23624955

SCHEMBL23624955

COc1cc(S(=N)(=O)C(C)C)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40

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
SCHEMBL26771681 0.83 MAPT (0.51) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL23624934 0.81 MAPT (0.52) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL3259829 0.79 TSHR (0.68) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL8777970 0.78 MAPT (0.55) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL358860 0.78 SMN1; SMN2 (0.59) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL30291384 0.78 MAPT (0.55) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL30184665 0.78 SMN1; SMN2 (0.59) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL11304854 0.77 MAPT (0.49) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL14988893 0.76 MAPT (0.54) MAPTHTTALDH1A1CYP3A4TSHR
SCHEMBL155420 0.76 MAPT (0.54) MAPTHTTALDH1A1CYP3A4TSHR

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-2021138392-A1 AMINOPYRIMIDINE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2021-07-08 WO disclosed