SCHEMBL24627793

SCHEMBL24627793

COc1ccc(-c2ccccc2)cc1C(=O)N[C@@H](CCCNC(=N)CF)C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.49
▸ PADI6 Q6TGC4 1/20 0.44
▸ MMP2 P08253 2/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PADI4 Q9UM07 3/20 0.41
▸ PADI2 Q9Y2J8 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ APEX1 P27695 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 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
SCHEMBL30804844 1.00 KDM1A (0.49) KDM1APADI6MMP2CTSVCTSL
SCHEMBL27174800 1.00 KDM1A (0.49) KDM1APADI6MMP2CTSVCTSL
SCHEMBL30804846 0.96 KDM1A (0.44) KDM1APADI6MMP2CTSVCTSL
SCHEMBL24627795 0.96 KDM1A (0.44) KDM1APADI6MMP2CTSVCTSL
SCHEMBL27174815 0.96 KDM1A (0.44) KDM1APADI6MMP2CTSVCTSL
SCHEMBL27174817 0.93 PSMB5 (0.44) KDM1AMMP2CTSVCTSLCTSB
SCHEMBL24627900 0.93 PSMB5 (0.44) KDM1AMMP2CTSVCTSLCTSB
SCHEMBL24627792 0.93 PPARA (0.46) KDM1APADI6MMP2PSMB5PADI4
SCHEMBL27174804 0.93 PPARA (0.46) KDM1APADI6MMP2PSMB5PADI4
SCHEMBL24627791 0.92 MMP2 (0.43) KDM1APADI6MMP2CTSLCTSB

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
WO-2022148457-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-07-14 — — WO disclosed
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