SCHEMBL5766973

SCHEMBL5766973

NC(=O)c1ccccc1N1CSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
BCHE P06276 3/20 0.41
ACHE P22303 1/20 0.41
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 1/20 0.38
HSD17B3 P37058 1/20 0.37
METAP2 P50579 1/20 0.37
BCAT2 O15382 1/20 0.36
GSK3B P49841 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL16469856 0.80 MYC (0.51) BCHENOTUMKDM4EALDH1A1HPGD
SCHEMBL5026715 0.73 NOTUM (0.51) BCHEACHENOTUMKDM4EALDH1A1
SCHEMBL617743 0.71 CA2 (0.44) NOTUMMAPTALOX12NPSR1
SCHEMBL16470683 0.70 MEN1 (0.50) NOTUMKDM4EALDH1A1TSHRHSD17B10
SCHEMBL27992672 0.70 ALDH1A1 (0.41) BCHENOTUMALDH1A1MAPTHPGD
SCHEMBL3230336 0.70 BCHE (0.43) BCHEACHENOTUMKDM4EALDH1A1
SCHEMBL11193164 0.70 NOTUM (0.49) BCHEACHENOTUMKDM4EMAPT
SCHEMBL11995114 0.70 SIGMAR1 (0.39) NPC1NOTUMKDM4EALDH1A1MAPT
SCHEMBL607557 0.70 ALDH1A1 (0.65) NPC1KDM4EALDH1A1MAPTHPGD
SCHEMBL6935721 0.69 MAPT (0.43) BCHEACHENOTUMKDM4EALDH1A1

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-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 EP disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 WO disclosed