SCHEMBL18826376

SCHEMBL18826376

NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(Br)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.91
▸ CA2 P00918 10/20 0.91
▸ L3MBTL1 Q9Y468 7/20 0.84
▸ KDM4E B2RXH2 5/20 0.84
▸ ALDH1A1 P00352 5/20 0.84
▸ GAA P10253 5/20 0.84
▸ MAPT P10636 5/20 0.84
▸ GLA P06280 4/20 0.84
▸ HPGD P15428 4/20 0.84
▸ CFTR P13569 1/20 0.84
▸ GOPC Q9HD26 1/20 0.84
▸ ATM Q13315 5/20 0.80
▸ LMNA P02545 2/20 0.80
▸ NPSR1 Q6W5P4 2/20 0.80
▸ CA12 O43570 2/20 0.80
▸ CA9 Q16790 2/20 0.80
▸ HTT P42858 2/20 0.80
▸ MEN1 O00255 1/20 0.80
▸ S1PR2 O95136 1/20 0.80
▸ S1PR4 O95977 1/20 0.80

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 0.92 CA1 (1.00) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL18826388 0.88 CA1 (0.91) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL18826375 0.88 CA1 (0.91) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL18826377 0.88 L3MBTL1 (1.00) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL12494043 0.85 L3MBTL1 (1.00) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL18826384 0.85 CA12 (0.67) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL18827580 0.85 L3MBTL1 (0.82) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL27954385 0.84 CA2 (0.76) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL2687295 0.82 EGFR (0.78) CA1CA2L3MBTL1KDM4EALDH1A1
SCHEMBL28810693 0.81 L3MBTL1 (0.79) CA1CA2L3MBTL1KDM4EALDH1A1

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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