SCHEMBL6625890

SCHEMBL6625890

CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
PTPN1 P18031 1/20 0.50
HPGD P15428 1/20 0.48
KMO O15229 1/20 0.47
PKM P14618 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
AKT1 P31749 1/20 0.46
IRS1 P35568 1/20 0.46
GAB1 Q13480 1/20 0.46
HIF1A Q16665 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6624588 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1TSHRPKM
SCHEMBL6623052 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1TSHRPKM
SCHEMBL3254971 0.85 MEN1 (0.48) KMT2AMEN1ALDH1A1PTPN1HPGD
SCHEMBL6615532 0.84 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1TSHRPKM
SCHEMBL6625513 0.82 POLB (0.51) KMT2AMEN1ALDH1A1TSHRPKM
SCHEMBL6624729 0.81 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1TSHRPKM
SCHEMBL6625259 0.78 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1TSHRCYP2C9
SCHEMBL11372035 0.78 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1TSHRHPGD
SCHEMBL2179405 0.77 KMO (0.58) KMT2AMEN1ALDH1A1PTPN1HPGD
SCHEMBL6625022 0.77 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TSHRCYP2C9

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