SCHEMBL2846375

SCHEMBL2846375

CCOC(=O)Cc1nc(OS(=O)(=O)C(F)(F)F)cs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
ADORA1 P30542 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL24676677 0.76 POLB (0.46) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL696137 0.73 MEN1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9481311 0.73 MEN1 (0.48) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL2844080 0.72 MEN1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2657920 0.72 MEN1 (0.54) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL25398811 0.71 SMN1; SMN2 (0.45) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL2654211 0.71 KMT2A (0.49) ALDH1A1CYP2C9CYP2C19KMT2AMEN1
SCHEMBL25309164 0.71 MEN1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL18722146 0.71 MEN1 (0.56) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL11199790 0.71 MEN1 (0.49) POLBALDH1A1KMT2AMEN1SMN1; SMN2

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed