SCHEMBL29838558

SCHEMBL29838558

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2ccccc2F)s1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 4/20 0.59
▸ PRSS12 P56730 7/20 0.56
▸ TP53 P04637 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SERPINE1 P05121 4/20 0.52
▸ ESR1 P03372 1/20 0.50
▸ AKR1C4 P17516 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49

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
SCHEMBL420763 0.83 PRSS12 (0.69) ESRRGPRSS12TP53SMN1; SMN2SERPINE1
SCHEMBL20764032 0.81 ESRRG (0.79) ESRRGPRSS12TP53SMN1; SMN2ESR1
SCHEMBL1307881 0.79 KCNMA1 (0.68) TP53SMN1; SMN2SERPINE1AKR1C4AKR1C3
SCHEMBL6830546 0.77 KMT2A (0.53) SMN1; SMN2SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL14855607 0.77 KCNMA1 (0.65) PRSS12TP53SMN1; SMN2SERPINE1AKR1C4
SCHEMBL1309948 0.74 AKR1C4 (0.60) TP53SMN1; SMN2SERPINE1AKR1C4AKR1C3
SCHEMBL20764060 0.74 ESRRG (1.00) ESRRGTP53SMN1; SMN2ESR1
SCHEMBL14855933 0.74 KCNMA1 (0.65) TP53SMN1; SMN2SERPINE1AKR1C4AKR1C3
SCHEMBL5844175 0.74 HPGD (0.66) ESRRGTP53SMN1; SMN2
SCHEMBL5950326 0.74 GRIK1 (0.80) PRSS12SMN1; SMN2SERPINE1

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
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