SCHEMBL24627795

SCHEMBL24627795

COc1ccc(-c2cccc(Cl)c2)cc1C(=O)N[C@@H](CCCNC(=N)CF)C(=O)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.44
▸ PADI6 Q6TGC4 1/20 0.43
▸ PSMB5 P28074 1/20 0.42
▸ PADI4 Q9UM07 4/20 0.41
▸ PADI2 Q9Y2J8 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 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
SCHEMBL27174815 1.00 KDM1A (0.44) KDM1APADI6PSMB5PADI4PADI2
SCHEMBL30804846 1.00 KDM1A (0.44) KDM1APADI6PSMB5PADI4PADI2
SCHEMBL30804844 0.96 KDM1A (0.49) KDM1APADI6PSMB5PADI4PADI2
SCHEMBL24627793 0.96 KDM1A (0.49) KDM1APADI6PSMB5PADI4PADI2
SCHEMBL27174800 0.96 KDM1A (0.49) KDM1APADI6PSMB5PADI4PADI2
SCHEMBL24627792 0.94 PPARA (0.46) KDM1APADI6PSMB5PADI4PADI2
SCHEMBL27174804 0.94 PPARA (0.46) KDM1APADI6PSMB5PADI4PADI2
SCHEMBL24627798 0.91 MMP2 (0.41) KDM1APADI6PADI4PADI2MMP2
SCHEMBL30804863 0.91 MMP2 (0.41) KDM1APADI6PADI4PADI2MMP2
SCHEMBL27174795 0.91 MMP2 (0.41) KDM1APADI6PADI4PADI2MMP2

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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