SCHEMBL5794952

SCHEMBL5794952

CCOC(=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CTPS1 P17812 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5693072 0.83 HSD11B1 (0.76) HSD11B1KMT2AMEN1POLBALDH1A1
SCHEMBL5798138 0.80 ALDH1A1 (0.53) HSD11B1KMT2AMEN1POLBALDH1A1
SCHEMBL5797968 0.78 KMT2A (0.68) HSD11B1KMT2AMEN1POLBALDH1A1
SCHEMBL27650160 0.78 KMT2A (0.73) HSD11B1KMT2AMEN1POLBALDH1A1
SCHEMBL6026445 0.78 PFKFB3 (0.56) HSD11B1KMT2AMEN1POLBL3MBTL1
SCHEMBL5794528 0.77 PKM (0.53) HSD11B1KMT2AMEN1POLBALDH1A1
SCHEMBL3926489 0.76 PFKFB3 (0.45) HSD11B1KMT2AMEN1ALDH1A1LMNA
SCHEMBL5806893 0.76 CDK5 (0.49) HSD11B1KMT2AMEN1POLBALDH1A1
SCHEMBL3925143 0.76 PFKFB3 (0.44) HSD11B1KMT2AMEN1ALDH1A1CTPS1
SCHEMBL5811010 0.75 KMT2A (0.61) HSD11B1KMT2AMEN1POLBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050908-A1 INHIBITORS OF 11ΒΕΤΑ-HYDROXY STEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) EVOTEC AG (DE) 2006-05-18 WO disclosed