SCHEMBL6626147

SCHEMBL6626147

CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccccc2Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
ALDH1A1 P00352 5/20 0.57
TSHR P16473 1/20 0.57
HSD11B1 P28845 2/20 0.55
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
EDNRA P25101 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL6625022 0.88 ALDH1A1 (0.55) HTTALDH1A1TSHRHSD11B1KMT2A
SCHEMBL6628130 0.86 ALDH1A1 (0.51) HTTALDH1A1TSHRHSD11B1KMT2A
SCHEMBL6625669 0.85 ALDH1A1 (0.55) HTTALDH1A1TSHRHSD11B1KMT2A
SCHEMBL3253068 0.84 HSD11B1 (0.56) HTTALDH1A1HSD11B1KMT2APOLB
SCHEMBL6625477 0.84 POLB (0.49) HTTALDH1A1TSHRHSD11B1KMT2A
SCHEMBL6612392 0.83 ALDH1A1 (0.49) HTTALDH1A1TSHRHSD11B1KMT2A
SCHEMBL6624588 0.83 KMT2A (0.64) ALDH1A1TSHRKMT2APOLBMEN1
SCHEMBL6624729 0.82 ALDH1A1 (0.51) ALDH1A1TSHRHSD11B1KMT2APOLB
SCHEMBL6625259 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD11B1KMT2APOLB
SCHEMBL11372035 0.79 ALDH1A1 (0.59) ALDH1A1TSHRKMT2APOLBMEN1

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 4 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
EP-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed