SCHEMBL23049658

SCHEMBL23049658

Cc1cc2c(cc(C=O)n2C)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 20/20 0.39

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
SCHEMBL23049698 0.71 PHGDH (0.58) PHGDH
SCHEMBL28483927 0.71 RORC (0.43) —
SCHEMBL23049726 0.70 PHGDH (0.51) PHGDH
SCHEMBL23049657 0.68 PHGDH (0.52) PHGDH
SCHEMBL35211852 0.67 ALDH1A1 (0.36) —
SCHEMBL23049702 0.66 PHGDH (0.50) PHGDH
SCHEMBL24186313 0.65 PHGDH (0.41) PHGDH
SCHEMBL2909623 0.63 CYP19A1 (0.46) —
Hydrochloric Acid SCHEMBL13684845 0.63 MAPT (0.39) —
SCHEMBL23049713 0.63 PHGDH (0.43) PHGDH

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-3596064-B1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-03 — — EP disclosed
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