SCHEMBL28853079

SCHEMBL28853079

Cc1c(S(=O)(=O)O)ccc([N+](=O)[O-])c1C[C@@H]1CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL58249 1.00 KMT2A (0.34) KMT2AMEN1PRMT5WDR77CRHBP
SCHEMBL28853081 1.00 KMT2A (0.34) KMT2AMEN1PRMT5WDR77CRHBP
SCHEMBL1694151 0.82 KMT2A (0.41) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL981024 0.82 KMT2A (0.41) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL981027 0.82 KMT2A (0.41) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL336604 0.82 KMT2A (0.41) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL1720326 0.82 KMT2A (0.41) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL1787921 0.82 KMT2A (0.41) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL58850 0.80 MEN1 (0.34) KMT2AMEN1PRMT5WDR77ALDH1A1
SCHEMBL3899549 0.78 TSHR (0.48) KMT2AMEN1ALDH1A1TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406386-A Method for producing 1 (4 hydroxy phenyl) 4 (4 trifluoromethoxy phenoxy group) piperidines or its salt 大塚制药株式会社 2017-11-28 CN disclosed