SCHEMBL9139742

SCHEMBL9139742

CCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 6/20 0.54
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9137797 0.90 P4HTM (0.66) P4HTMLMNA
SCHEMBL9139554 0.89 P4HTM (0.50) P4HTMLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL9142854 0.88 P4HTM (0.60) P4HTMLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL9140800 0.86 P4HTM (0.56) P4HTM
SCHEMBL9139748 0.86 NPC1 (0.58) P4HTMLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL9138954 0.86 L3MBTL1 (0.48) P4HTMLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL9141583 0.86 P4HTM (0.53) P4HTMLMNAALDH1A1
SCHEMBL9137563 0.85 P4HTM (0.52) P4HTMMAPK1ALDH1A1NPC1RAB9A
SCHEMBL9140269 0.84 NPC1 (0.53) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9139101 0.84 NPC1 (0.53) P4HTMLMNASMN1; SMN2NPC1RAB9A

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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