SCHEMBL24627798

SCHEMBL24627798

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.41
▸ PADI6 Q6TGC4 1/20 0.41
▸ PPARA Q07869 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ PADI4 Q9UM07 3/20 0.40
▸ PADI2 Q9Y2J8 1/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HCRTR2 O43614 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL27174795 1.00 MMP2 (0.41) MMP2PADI6PPARAPPARGBRD4
SCHEMBL30804863 1.00 MMP2 (0.41) MMP2PADI6PPARAPPARGBRD4
SCHEMBL27174819 0.96 MMP2 (0.43) MMP2PADI6PPARAPPARGBRD4
SCHEMBL24627791 0.96 MMP2 (0.43) MMP2PADI6PPARAPPARGBRD4
SCHEMBL24627792 0.94 PPARA (0.46) MMP2PADI6PPARAPPARGBRD4
SCHEMBL27174804 0.94 PPARA (0.46) MMP2PADI6PPARAPPARGBRD4
SCHEMBL24627795 0.91 KDM1A (0.44) MMP2PADI6PPARAPPARGBRD4
SCHEMBL30804846 0.91 KDM1A (0.44) MMP2PADI6PPARAPPARGBRD4
SCHEMBL27174815 0.91 KDM1A (0.44) MMP2PADI6PPARAPPARGBRD4
SCHEMBL30804844 0.89 KDM1A (0.49) MMP2PADI6PPARAPPARGPADI4

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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