SCHEMBL14043068

SCHEMBL14043068

Cc1ccc(S(=O)(=O)OCCn2cc(CNC(=O)Cn3ccnc3N)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.46
▸ MMP9 P14780 4/20 0.46
▸ MMP8 P22894 4/20 0.46
▸ MMP13 P45452 4/20 0.46
▸ PSMD10 O75832 1/20 0.42
▸ CA1 P00915 5/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA12 O43570 4/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA7 P43166 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34

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
SCHEMBL943760 0.88 CA12 (0.51) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL14043067 0.78 MAPK1 (0.42) CA1CA2CA9CA12MAPK1
SCHEMBL14925314 0.75 MMP2 (0.51) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL941807 0.74 MMP2 (0.43) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL14924261 0.73 MMP2 (0.49) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL8211578 0.68 ALDH1A1 (0.44) PSMD10CA1CA2CA9CA12
SCHEMBL16511356 0.67 PSMD10 (0.51) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL941683 0.66 LMNA (0.61) CA1CA2CA9CA12KMT2A
SCHEMBL16510904 0.66 PSMD10 (0.49) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL13104167 0.66 CYP3A4 (0.56) CA1CA2CA9CA12KMT2A

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-2008124651-A2 NITRO-IMIDAZOLE HYPOXIA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 — — WO disclosed
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