SCHEMBL9467796

SCHEMBL9467796

CNC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.60
HDAC6 Q9UBN7 5/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC11 Q96DB2 3/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
EPHX2 P34913 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
GHSR Q92847 1/20 0.51
KCNA1 Q09470 1/20 0.51
KCNAB1 Q14722 1/20 0.51
NLRP3 Q96P20 1/20 0.50
NAMPT P43490 1/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49

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
SCHEMBL9468104 0.86 CA1 (0.64) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL9483252 0.86 KMT2A (0.58) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL28113465 0.85 BDKRB1 (0.63) KMT2AMEN1CA1CA2FLT1
SCHEMBL19629833 0.84 ALDH1A1 (0.62) HDAC3HDAC6HDAC8HDAC11KMT2A
SCHEMBL9483831 0.82 CA12 (0.54) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL9468106 0.82 FLT1 (0.64) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL10201044 0.81 NPC1 (0.68) HDAC3HDAC6HDAC8HDAC11KMT2A
SCHEMBL343103 0.81 TP53 (0.52) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL12201959 0.80 PTGS2 (0.66) HDAC3HDAC6HDAC8HDAC11KMT2A
SCHEMBL9483024 0.80 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5215570-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1993-06-01 US claimed
EP-0365484-B1 SULFAMOYL PHENYL UREAS CIBA-GEIGY AG (CH) 1993-01-07 EP claimed
US-5215570-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed