SCHEMBL6624237

SCHEMBL6624237

CCOC(=O)Cc1cnc(NS(=O)(=O)c2cc(F)c(Br)cc2F)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD11B1 P28845 2/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
SCN8A Q9UQD0 2/20 0.37
SCN1A P35498 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3253302 0.85 HSD11B1 (0.42) HSD11B1SCN8ASCN1ASCN5ASCN9A
SCHEMBL6612392 0.78 ALDH1A1 (0.49) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL6623052 0.78 KMT2A (0.64) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL6625477 0.78 POLB (0.49) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL11372035 0.77 ALDH1A1 (0.59) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL6626147 0.76 HTT (0.59) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL6628130 0.76 ALDH1A1 (0.51) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL6625669 0.75 ALDH1A1 (0.55) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL6624588 0.74 KMT2A (0.64) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1
SCHEMBL6624729 0.73 ALDH1A1 (0.51) ALDH1A1TSHRPOLBSMN1; SMN2L3MBTL1

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-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