SCHEMBL9138015

SCHEMBL9138015

COc1ccc(COC(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(CCNC(=O)Cc4ccccc4)cc3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.53
ALDH1A1 P00352 4/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
EGFR P00533 2/20 0.48
ERBB2 P04626 1/20 0.48
MAPT P10636 1/20 0.47
SGMS1 Q86VZ5 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL9139317 0.93 P4HTM (0.55) P4HTMALDH1A1MAPTSGMS1MEN1
SCHEMBL9140688 0.91 PTPN1 (0.56) P4HTMALDH1A1MAPTSGMS1CYP1A2
SCHEMBL9144421 0.89 P4HTM (0.52) P4HTMALDH1A1CA1CA2CA12
SCHEMBL9138662 0.88 P4HTM (0.49) P4HTMALDH1A1CA1CA2CA12
SCHEMBL9018076 0.88 ALDH1A1 (0.49) P4HTMALDH1A1CA1CA2CA12
SCHEMBL9137443 0.87 P4HTM (0.48) P4HTMALDH1A1MEN1KMT2A
SCHEMBL9139930 0.87 P4HTM (0.48) P4HTMALDH1A1CA1CA2CA12
SCHEMBL9137990 0.87 P4HTM (0.51) P4HTMALDH1A1CA1CA2CA12
SCHEMBL9138982 0.86 P4HTM (0.47) P4HTMALDH1A1CA2MEN1KMT2A
SCHEMBL9140268 0.86 P4HTM (0.52) P4HTMMAPTMEN1KMT2A

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