SCHEMBL8715422

SCHEMBL8715422

[O]c1ccc([N+](=O)[O-])cc1[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
HSD17B10 Q99714 2/20 0.52
PTPRC P08575 1/20 0.50
S100A4 P26447 1/20 0.50
GPR35 Q9HC97 2/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TXNRD1 Q16881 2/20 0.47
TXNRD3 Q86VQ6 2/20 0.47
TXNRD2 Q9NNW7 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL612437 0.81 TDP1 (0.63) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL4400528 0.79 TSHR (0.69) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL4870825 0.79 HSD17B10 (0.69) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL4391212 0.79 GPR35 (0.64) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL7356876 0.79 ALDH1A1 (0.69) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL7235609 0.79 HSD17B10 (0.69) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL3029469 0.79 ALDH1A1 (0.59) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL13858604 0.76 ERN1 (0.65) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL9740065 0.74 TDP1 (0.66) LMNAALDH1A1TDP1CYP3A4HPGD
SCHEMBL2298324 0.74 CYP1A2 (0.45) TSHRLMNAALDH1A1TDP1HSD17B10

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed