SCHEMBL5309193

SCHEMBL5309193

CC(C)(C)OC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.52
▸ MMP13 P45452 2/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ PKM P14618 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ TGM2 P21980 5/20 0.47
▸ F13A1 P00488 4/20 0.47
▸ TGM1 P22735 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ GPR183 P32249 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
SCHEMBL710366 0.81 TGM2 (0.64) PKMTGM2F13A1TGM1GPR183
SCHEMBL6977155 0.78 TGM2 (0.62) PKMTGM2F13A1TGM1GPR183
SCHEMBL14490210 0.77 TGM2 (0.59) MMP1MMP13MMP9PKMALDH1A1
SCHEMBL567446 0.76 PRMT3 (0.53) MMP1MMP13MMP9PKMALDH1A1
SCHEMBL5311837 0.76 EPHX2 (0.58) PKMALDH1A1LMNAKMT2A
SCHEMBL7245611 0.75 SIGMAR1 (0.63) SIGMAR1
SCHEMBL17076468 0.74 TGM2 (0.72) MMP9PKMALDH1A1SIGMAR1KMT2A
SCHEMBL6977995 0.74 TGM2 (0.58) ALDH1A1LMNATGM2F13A1TGM1
SCHEMBL18702163 0.74 GPR183 (0.58) PKMALDH1A1LMNAGPR183
SCHEMBL28819232 0.74 YAP1 (0.66) PKMALDH1A1LMNAKMT2AGPR183

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
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 — — WO disclosed
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