SCHEMBL14042903

SCHEMBL14042903

CC(=O)OC(COS(=O)(=O)c1ccc(C)cc1)Cn1cc(CN/C=C\N)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.38
▸ MMP9 P14780 4/20 0.38
▸ MMP8 P22894 4/20 0.38
▸ MMP13 P45452 4/20 0.38
▸ PSMD10 O75832 1/20 0.37
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL943059 0.75 PSMD10 (0.34) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL8423991 0.73 STAT3 (0.44) LMNAMAPK1
SCHEMBL14042906 0.71 STAT3 (0.40) CA12CA1CA2CA9LMNA
SCHEMBL13515252 0.71 STAT3 (0.40) CA12CA1CA2CA9LMNA
SCHEMBL5473716 0.69 STAT3 (0.41) CA1CA2LMNAMAPK1
SCHEMBL5473718 0.69 STAT3 (0.41) CA1CA2LMNAMAPK1
SCHEMBL5473721 0.69 STAT3 (0.41) CA1CA2LMNAMAPK1
SCHEMBL13117673 0.68 STAT3 (0.40) PSMD10CA12CA1CA9LMNA
SCHEMBL9771979 0.68 AR (0.41) LMNAMAPK1
SCHEMBL5471181 0.68 AR (0.41) LMNAMAPK1

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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