SCHEMBL9139720

SCHEMBL9139720

COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9142854 0.88 P4HTM (0.60) P4HTMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9137568 0.88 P4HTM (0.55) P4HTMMAPK1HSD17B10ALDH1A1CA1
SCHEMBL9139942 0.86 P4HTM (0.53) P4HTMMAPK1ALDH1A1MAPTCA1
SCHEMBL8869176 0.85 P4HTM (0.53) P4HTMKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL9018519 0.84 P4HTM (0.80) P4HTMKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL8869543 0.84 P4HTM (0.76) P4HTMKDM4EMAPK1EGFRL3MBTL1
SCHEMBL9138365 0.83 LMNA (0.52) P4HTMMAPK1MAPTTSHRLMNA
SCHEMBL9143209 0.83 RAB9A (0.57) P4HTMALDH1A1MAPTHPGDCA1
SCHEMBL9138327 0.83 PTPN1 (0.52) P4HTMKDM4EALDH1A1MAPTCA1
SCHEMBL8868894 0.83 P4HTM (0.51) P4HTMKDM4EHSD17B10ALDH1A1HPGD

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
Send feedback