SCHEMBL23624934

SCHEMBL23624934

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43

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
SCHEMBL30184665 0.85 SMN1; SMN2 (0.59) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL358860 0.85 SMN1; SMN2 (0.59) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL3259829 0.83 TSHR (0.68) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL30291384 0.81 MAPT (0.55) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL8777970 0.81 MAPT (0.55) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL23624991 0.81 POLB (0.47) MAPTALDH1A1POLBCA1CA2
SCHEMBL23625105 0.81 ALDH1A1 (0.54) MAPTALDH1A1TSHRHSD17B10HTT
SCHEMBL23624955 0.81 MAPT (0.49) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL14988893 0.80 MAPT (0.54) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL155420 0.80 MAPT (0.54) MAPTALDH1A1CYP3A4TSHRTDP1

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