SCHEMBL6622690

SCHEMBL6622690

O=S(=O)(Nc1nnc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)s1)c1cc(F)c(Br)cc1F.O=S(=O)(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc(Cl)c(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.36
SCN1A P35498 4/20 0.34
SCN8A Q9UQD0 4/20 0.34
SCN5A Q14524 3/20 0.34
SCN9A Q15858 8/20 0.33
PPARG P37231 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
AHR P35869 1/20 0.33
CYP2C9 P11712 1/20 0.32
SCN2A Q99250 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRNP P04156 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
FSCN1 Q16658 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
SCHEMBL5831351 0.86 HSD11B1 (0.47) HSD11B1SCN1ASCN8ASCN5ASCN9A
SCHEMBL5831877 0.83 PTGES2 (0.44) PTGES2PPARGMEN1KMT2ARXFP1
SCHEMBL5831691 0.79 FBP1 (0.39) PTGES2MEN1KMT2A
SCHEMBL2762431 0.72 HSD11B1 (0.66) HSD11B1SCN1ASCN8ASCN5ASCN9A
SCHEMBL5831020 0.70 MEN1 (0.44) MEN1KMT2AFSCN1
SCHEMBL5831326 0.70 HSD11B1 (0.48) HSD11B1SCN1ASCN8ASCN5ASCN9A
SCHEMBL5830491 0.70 CA1 (0.41) SCN1ASCN8ASCN5APPARGMEN1
SCHEMBL5831530 0.69 HSD11B1 (0.69) HSD11B1SCN1ASCN8ASCN5APPARG
SCHEMBL6615166 0.68 HSD11B1 (0.54) HSD11B1SCN1ASCN8ASCN5APPARG
SCHEMBL6613718 0.68 HSD11B1 (0.45) HSD11B1SCN1ASCN8ASCN5ASCN9A

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-1461327-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2003044000-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed