SCHEMBL29838654

SCHEMBL29838654

O=C(O)c1cc(Cl)ccc1NC(=O)C1CCCN(C(=O)Cc2cccc(-c3ccoc3)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.57
RHOA P61586 6/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 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
SCHEMBL420156 1.00 SERPINE1 (0.57) SERPINE1RHOAKDM4EHSD17B10ALDH1A1
SCHEMBL415948 0.92 RHOA (0.47) SERPINE1RHOAKDM4EHSD17B10ALDH1A1
SCHEMBL419505 0.86 SERPINE1 (0.58) SERPINE1KDM4EHSD17B10ALDH1A1
SCHEMBL419504 0.86 SERPINE1 (0.58) SERPINE1KDM4EHSD17B10ALDH1A1
SCHEMBL419591 0.86 SERPINE1 (0.62) SERPINE1RHOAALDH1A1
SCHEMBL416973 0.85 SERPINE1 (0.61) SERPINE1RHOAALDH1A1
SCHEMBL418577 0.79 SERPINE1 (0.73) SERPINE1KDM4EHSD17B10ALDH1A1POLB
SCHEMBL416972 0.78 RHOA (0.56) SERPINE1RHOAALDH1A1
SCHEMBL417046 0.78 SERPINE1 (0.47) SERPINE1ALDH1A1
SCHEMBL417045 0.78 SERPINE1 (0.47) SERPINE1ALDH1A1

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
EP-4039276-A1 INHIBITOR AGAINST EXPRESSION OF IMMUNE CHECKPOINT MOLECULE Renascience Inc. (JP) 2022-08-10 EP disclosed