SCHEMBL18826372

SCHEMBL18826372

Cc1cccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.79
▸ CA1 P00915 8/20 0.79
▸ L3MBTL1 Q9Y468 7/20 0.79
▸ KDM4E B2RXH2 5/20 0.79
▸ ALDH1A1 P00352 5/20 0.79
▸ GAA P10253 5/20 0.79
▸ MAPT P10636 5/20 0.79
▸ HPGD P15428 3/20 0.79
▸ GLA P06280 3/20 0.79
▸ CFTR P13569 1/20 0.79
▸ GOPC Q9HD26 1/20 0.79
▸ ATM Q13315 4/20 0.77
▸ HTT P42858 1/20 0.77
▸ MMP2 P08253 4/20 0.76
▸ MMP9 P14780 4/20 0.76
▸ PTGS2 P35354 2/20 0.71
▸ ACHE P22303 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ CA12 O43570 1/20 0.68
▸ CA9 Q16790 1/20 0.68

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
SCHEMBL14484122 0.89 CA1 (1.00) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL18826375 0.88 CA1 (0.91) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL18826392 0.87 L3MBTL1 (1.00) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL18826377 0.87 L3MBTL1 (1.00) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL18826389 0.87 L3MBTL1 (1.00) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL18826383 0.86 PTGS2 (0.85) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL15197346 0.82 CA2 (1.00) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL18826388 0.81 CA1 (0.91) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL18826376 0.81 CA1 (0.91) CA2CA1L3MBTL1KDM4EALDH1A1
SCHEMBL12494043 0.80 L3MBTL1 (1.00) CA2CA1L3MBTL1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642835-B2 Modulators of GTPase and use in relevant treatment STC.UNM (US) 2017-05-09 — — US disclosed
US-9642835-B2 Modulators of GTPase and use in relevant treatment STC.UNM (US) 2017-05-09 — — US disclosed
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