SCHEMBL22499461

SCHEMBL22499461

CC1(C)OCC(c2cccc([N+](=O)[O-])c2F)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CACNA1C Q13936 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
SCHEMBL11451486 0.86 LMNA (0.41) SMN1; SMN2TDP1TSHRLMNAALDH1A1
SCHEMBL13172586 0.77 ALDH1A1 (0.40) SMN1; SMN2TDP1TSHRLMNAALDH1A1
SCHEMBL2939462 0.76 HTR1A (0.35)
SCHEMBL2946834 0.76 ERN1 (0.35)
SCHEMBL2949836 0.76 ERN1 (0.35)
SCHEMBL22070616 0.73 HCRTR2 (0.33)
SCHEMBL22070983 0.73 HCRTR2 (0.33)
SCHEMBL22520089 0.73 MAPT (0.41) SMN1; SMN2TDP1LMNAALDH1A1MAPT
SCHEMBL28841519 0.72 HCRTR1 (0.40) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL22071102 0.72 DRD2 (0.37) SMN1; SMN2TDP1TSHRLMNAALDH1A1

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-2020202091-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-08 WO disclosed
WO-2020202091-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-08 WO disclosed