SCHEMBL28474124

SCHEMBL28474124

CSC(=CC(=O)c1ccc(C(=O)O)cc1)SC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
MAPT P10636 1/20 0.69
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRD5A2 P31213 2/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 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
SCHEMBL5931364 0.85 MEN1 (1.00) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL6139623 0.83 MAPT (0.69) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL9210472 0.82 MAPT (0.67) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6139630 0.82 MAPT (1.00) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL6218138 0.82 MAPT (0.67) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL16052890 0.81 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11048818 0.79 MAPT (0.62) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1162890 0.79 MAPT (0.62) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL9848064 0.78 KMT2A (0.66) MEN1KMT2AMAPTTSHRTP53
SCHEMBL9619495 0.77 MAPT (0.66) MEN1KMT2AMAPTALDH1A1SRD5A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111836801-B Compounds for inhibiting TNIK and medical use thereof 韩国化学硏究院 2024-02-02 CN disclosed
CN-111836801-A Compound for inhibiting TNIK and medical application thereof 韩国化学硏究院 2020-10-27 CN disclosed