SCHEMBL6627698

SCHEMBL6627698

CSc1nccc(-c2ccc(S(=O)(=O)Nc3nc[c]s3)s2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.65
PFKFB3 Q16875 3/20 0.60
PFKFB4 Q16877 1/20 0.55
CCKBR P32239 1/20 0.49
MMP8 P22894 4/20 0.43
MMP3 P08254 2/20 0.43
LMNA P02545 2/20 0.37
PIK3CA P42336 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
CCNH P51946 2/20 0.36
CCNA1 P78396 2/20 0.36
CCR4 P51679 1/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 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
SCHEMBL5692826 0.81 GABRA1 (0.64) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13211036 0.81 GABRA1 (0.69) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL5385965 0.78 GABRA1 (0.61) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL8280458 0.77 GABRA1 (0.77) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633919 0.76 GABRA1 (0.72) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633864 0.76 GABRA1 (0.62) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL787849 0.76 GABRA1 (0.65) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL12179846 0.76 GABRA1 (0.61) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL4008105 0.76 GABRA1 (0.61) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL2197723 0.76 GABRA1 (0.61) GABRA1PFKFB3PFKFB4CCKBRMMP8

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
EP-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP claimed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
WO-2004112782-A1 NEW USE V BIOVITRUM AB (SE) 2004-12-29 WO disclosed