SCHEMBL9138259

SCHEMBL9138259

CCOCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 12/20 0.61
EGFR P00533 2/20 0.44
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL9143335 0.94 P4HTM (0.58) P4HTMSMN1; SMN2LMNAMAPK1NPC1
SCHEMBL8869631 0.94 P4HTM (0.53) P4HTMEGFRCA2SMN1; SMN2LMNA
SCHEMBL9139700 0.91 P4HTM (0.53) P4HTMEGFRCA2SMN1; SMN2LMNA
SCHEMBL8868196 0.91 P4HTM (0.53) P4HTMEGFRCA2SMN1; SMN2NPC1
SCHEMBL8868013 0.91 P4HTM (0.50) P4HTMEGFRCA2SMN1; SMN2LMNA
SCHEMBL8869667 0.91 P4HTM (0.53) P4HTMEGFRCA2SMN1; SMN2NPC1
SCHEMBL9136898 0.90 P4HTM (0.65) P4HTMEGFRSMN1; SMN2MAPK1NPC1
SCHEMBL8868438 0.90 P4HTM (0.48) P4HTMEGFRCA2SMN1; SMN2LMNA
SCHEMBL8867931 0.90 HPGD (0.51) P4HTMEGFRSMN1; SMN2LMNAMAPK1
SCHEMBL9139791 0.90 P4HTM (0.49) P4HTMEGFRCA2SMN1; SMN2NPC1

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