SCHEMBL5258476

SCHEMBL5258476

CCN(CC)C(C)(NC1=CC(=O)c2sc(C(=O)NCC(C)C)nc2C1=O)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
RORC P51449 8/20 0.35
CDK4 P11802 8/20 0.33
RORB Q92753 5/20 0.33
EP300 Q09472 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
CCND1 P24385 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
KMT5A Q9NQR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3547085 0.65 CDC25A (0.60) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL3553146 0.64 CDC25A (0.53) CDC25ACDC25BCDC25CCDK4
SCHEMBL3550514 0.63 CDK4 (0.43) CDC25ACDC25BCDC25CCDK4NPC1
SCHEMBL17660296 0.60 SMN1; SMN2 (0.42) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL2399177 0.59 CDC25A (0.47) CDC25ACDC25BCDC25CRORCRORB
SCHEMBL3552749 0.59 CDC25A (0.57) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL3552777 0.59 CDC25A (0.59) CDC25ACDC25BCDC25CRORCCDK4
SCHEMBL20428951 0.58 GRM5 (0.49) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL3548778 0.57 CDC25A (0.60) CDC25ACDC25BCDC25CCDK4MEN1
SCHEMBL162901 0.57 KMT2A (0.44) MEN1KMT2ANPC1ALDH1A1RAB9A

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-1814879-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2007-08-08 EP disclosed
WO-2006051202-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-05-18 WO disclosed