SCHEMBL30764609

SCHEMBL30764609

NNc1ncnc2c1C(=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
GRM5 P41594 1/20 0.31
XDH P47989 1/20 0.30

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
SCHEMBL28820664 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL1781741 0.73 TSHR (0.46) ALDH1A1KDM4EMAPTTSHRSMN1; SMN2
SCHEMBL929530 0.69 TSHR (0.47) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL19131345 0.69 TSHR (0.39) ALDH1A1KDM4EMAPTTSHRGRM5
SCHEMBL30764481 0.69 TSHR (0.39) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL18237942 0.69 TSHR (0.39) ALDH1A1KDM4EMAPTTSHRSMN1; SMN2
SCHEMBL27168890 0.68 TSHR (0.35) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL30764525 0.68 TSHR (0.35) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL7917747 0.64 TSHR (0.44) ALDH1A1KDM4EMAPTTSHR
SCHEMBL30667164 0.61 CYP11B2 (0.40) ALDH1A1TSHRGRM5

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
CN-117337290-A Tri-ring ubiquitin-specific protease 1 inhibitors and uses thereof 山东轩竹医药科技有限公司 2024-01-02 CN disclosed