SCHEMBL9139554

SCHEMBL9139554

CCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 5/20 0.50
▸ HDAC3 O15379 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ BCL2 P10415 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HDAC2 Q92769 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44

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
SCHEMBL9143209 0.90 RAB9A (0.57) P4HTMHDAC3HDAC1HDAC8HDAC6
SCHEMBL9138954 0.90 L3MBTL1 (0.48) P4HTMHDAC3HDAC1HDAC8HDAC6
SCHEMBL9139742 0.89 P4HTM (0.54) P4HTMNPC1RAB9ALMNAALDH1A1
SCHEMBL9139557 0.87 P4HTM (0.52) P4HTMHDAC3HDAC1HDAC8HDAC6
SCHEMBL9139930 0.87 P4HTM (0.48) P4HTMNPC1RAB9ALMNABCL2L1
SCHEMBL9137797 0.87 P4HTM (0.66) P4HTMLMNA
SCHEMBL9141583 0.84 P4HTM (0.53) P4HTMSCN3ALMNAALDH1A1CA12
SCHEMBL8868481 0.84 HDAC3 (0.51) P4HTMHDAC3HDAC1HDAC8HDAC6
SCHEMBL9140800 0.83 P4HTM (0.56) P4HTMBCL2L1MCL1
SCHEMBL9139101 0.83 NPC1 (0.53) P4HTMHDAC8HDAC6NPC1RAB9A

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
US-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 — — US disclosed
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