SCHEMBL5811010

SCHEMBL5811010

CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
HSD11B1 P28845 9/20 0.61
ALDH1A1 P00352 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL3932269 0.85 HSD11B1 (0.59) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL3926842 0.84 HSD11B1 (0.62) KMT2AMEN1HSD11B1
SCHEMBL5797968 0.82 KMT2A (0.68) KMT2AMEN1HSD11B1ALDH1A1CYP2C9
SCHEMBL5798138 0.81 ALDH1A1 (0.53) KMT2AMEN1HSD11B1ALDH1A1CYP2C9
SCHEMBL27815263 0.81 HSD11B1 (0.62) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL3927464 0.80 HSD11B1 (0.54) KMT2AMEN1HSD11B1ALDH1A1POLB
SCHEMBL5794528 0.79 PKM (0.53) KMT2AMEN1HSD11B1ALDH1A1CYP2C9
SCHEMBL5797726 0.77 HSD11B1 (0.55) HSD11B1ALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL3928523 0.76 HSD11B1 (0.61) HSD11B1ALDH1A1LMNA
SCHEMBL27650147 0.76 KMT2A (1.00) KMT2AMEN1ALDH1A1CYP2C9CYP2C19

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