SCHEMBL20779708

SCHEMBL20779708

CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(C(=N)/N=N\N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.51
▸ YAP1 P46937 1/20 0.51
▸ TNNI3K Q59H18 4/20 0.45
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ ALDH3A1 P30838 4/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ IDH2 P48735 1/20 0.36
▸ KIF11 P52732 1/20 0.36

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
SCHEMBL20766300 0.81 TEAD1 (0.53) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL20766837 0.80 TEAD1 (0.54) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL20767220 0.77 TEAD1 (0.49) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL20779892 0.77 TEAD1 (0.62) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL22635632 0.76 TEAD1 (0.48) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL22635666 0.73 ALDH1A1 (0.58) TEAD1YAP1TNNI3KMAPK1MEN1
SCHEMBL20779642 0.73 TEAD1 (0.56) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL30410558 0.73 TEAD1 (0.56) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL22719765 0.73 TEAD1 (0.56) TEAD1YAP1TNNI3KAKR1C3AKR1C2
SCHEMBL29504945 0.73 TEAD1 (0.56) TEAD1YAP1TNNI3KAKR1C3AKR1C2

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-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 — — WO disclosed
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