SCHEMBL25288556

SCHEMBL25288556

COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NNC(=O)O)cc12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RCE1 Q9Y256 1/20 0.61
▸ CTSL P07711 4/20 0.61
▸ CTSB P07858 4/20 0.61
▸ CTSS P25774 3/20 0.59
▸ NPC1 O15118 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52

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
SCHEMBL25244521 1.00 MEN1 (0.61) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL24029390 0.89 MEN1 (0.62) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL25518572 0.89 MEN1 (0.67) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL30174831 0.89 MEN1 (0.67) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL29393963 0.89 MEN1 (0.67) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL23824277 0.89 MEN1 (0.67) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL23824273 0.89 MEN1 (0.67) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL25837527 0.88 CTSL (0.62) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL25286907 0.88 MEN1 (0.61) MEN1KMT2ARCE1CTSLCTSB
SCHEMBL25286906 0.88 MEN1 (0.61) MEN1KMT2ARCE1CTSLCTSB

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-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 — — EP disclosed
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