SCHEMBL29065451

SCHEMBL29065451

COC(=O)C1=CC=CC=C(C(=O)OC)N=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 5/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
XDH P47989 2/20 0.34
POLB P06746 2/20 0.34
NFKB1 P19838 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
FUT7 Q11130 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 1/20 0.33
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA7 P43166 5/20 0.32

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
SCHEMBL29065453 0.76 NPSR1 (0.38) NPSR1KDM4ELMNAGAAXDH
SCHEMBL6645420 0.76 NPSR1 (0.34) NPSR1KDM4ELMNAGAAPOLB
SCHEMBL29065452 0.74 NPSR1 (0.44) NPSR1KDM4ELMNAGAAXDH
SCHEMBL28474643 0.72 NPSR1 (0.34) NPSR1KDM4ELMNAGAAXDH
SCHEMBL6414618 0.71 TSHR (0.37) NPSR1KDM4ELMNAGAAXDH
SCHEMBL28296128 0.70 TSHR (0.35) NPSR1KDM4ELMNAGAATDP1
SCHEMBL31435414 0.68 NPSR1 (0.34) NPSR1KDM4ELMNAGAAXDH
SCHEMBL28296127 0.68 NPSR1 (0.34) NPSR1KDM4ELMNAGAAXDH
SCHEMBL6198951 0.67
SCHEMBL20013576 0.67 CA12 (0.33) NPSR1KDM4ELMNAGAAXDH

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-116490069-A STAT degradation agent and application thereof 凯麦拉医疗公司 2023-07-25 CN disclosed