SCHEMBL5728627

SCHEMBL5728627

CC(NC(=O)c1ccc(I)cc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL3902781 1.00 KCNA5 (0.44) KCNA5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3895732 0.92 KCNA5 (0.35) KCNA5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5641569 0.90 KCNA5 (0.42) KCNA5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3904144 0.90 L3MBTL1 (0.47) KCNA5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3909965 0.90 KCNA5 (0.42) KCNA5KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3902462 0.86 LIMK2 (0.38) KCNA5
SCHEMBL3903821 0.85 NR1I2 (0.33)
SCHEMBL5728253 0.85 NR1I2 (0.33)
SCHEMBL3903757 0.85 L3MBTL1 (0.38) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL3741654 0.85 CCKBR (0.39) KCNA5L3MBTL1

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
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO disclosed