SCHEMBL6300130

SCHEMBL6300130

CC(C)(C)c1ccccc1-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 4/20 0.48
▸ MAPK1 P28482 2/20 0.43
▸ AURKA O14965 6/20 0.42
▸ NTRK1 P04629 3/20 0.42
▸ TTK P33981 2/20 0.41
▸ AURKB Q96GD4 4/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ BRD4 O60885 3/20 0.40

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
SCHEMBL1461707 0.87 ITK (0.52) ITKMAPK1AURKANTRK1TTK
SCHEMBL1461074 0.86 BRD4 (0.50) ITKMAPK1AURKANTRK1TTK
SCHEMBL1460595 0.86 ITK (0.48) ITKMAPK1AURKANTRK1TTK
SCHEMBL1459787 0.86 ITK (0.58) ITKMAPK1AURKANTRK1TTK
SCHEMBL1461732 0.86 AURKA (0.48) ITKMAPK1AURKANTRK1TTK
SCHEMBL1461015 0.85 ITK (0.50) ITKMAPK1AURKATTKAURKB
SCHEMBL1460552 0.85 MAPK1 (0.54) ITKMAPK1AURKANTRK1TTK
SCHEMBL1460748 0.84 BRD4 (0.53) ITKMAPK1AURKANTRK1AURKB
SCHEMBL1461009 0.84 ITK (0.47) ITKMAPK1AURKANTRK1TTK
SCHEMBL1460713 0.84 BRD4 (0.50) ITKMAPK1AURKANTRK1TTK

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-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US claimed
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