SCHEMBL9138404

SCHEMBL9138404

CCOc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3ccc(C(=O)O)nc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
P4HTM Q9NXG6 7/20 0.55
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PPARA Q07869 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9138961 0.92 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL9138754 0.91 P4HTM (0.63) MAPTNPC1RAB9AP4HTMPPARA
SCHEMBL9144510 0.91 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL9143984 0.91 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL8870251 0.90 NPC1 (0.52) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL9140179 0.89 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL9144504 0.88 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL9139467 0.88 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL9139136 0.88 P4HTM (0.69) MAPTNPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL8869525 0.88 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2P4HTM

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