SCHEMBL2424186

SCHEMBL2424186

COC(=O)c1cc(Oc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
SIRT6 Q8N6T7 1/20 0.49
HSPB1 P04792 2/20 0.49
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRAF P15056 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
XDH P47989 1/20 0.43
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
KMT2A Q03164 1/20 0.42
USP10 Q14694 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL1025529 0.94 TDP1 (0.56) TDP1SIRT6HSPB1HPGDSMN1; SMN2
SCHEMBL10784720 0.92 TDP1 (0.70) TDP1SIRT6HPGDSMN1; SMN2ALDH1A1
SCHEMBL2724028 0.88 TDP1 (0.62) TDP1SIRT6HPGDSMN1; SMN2ALDH1A1
SCHEMBL3512673 0.88 TDP1 (0.62) TDP1SIRT6HSPB1HPGDSMN1; SMN2
SCHEMBL10784985 0.88 TDP1 (0.62) TDP1SIRT6HPGDSMN1; SMN2ALDH1A1
SCHEMBL12846984 0.87 TDP1 (0.47) TDP1SIRT6HSPB1SMN1; SMN2BRAF
SCHEMBL10785510 0.86 TDP1 (0.61) TDP1SIRT6HPGDSMN1; SMN2ALDH1A1
SCHEMBL1027039 0.86 TDP1 (0.61) TDP1SIRT6HPGDSMN1; SMN2BRAF
SCHEMBL17530357 0.86 TDP1 (0.76) TDP1SIRT6HPGDSMN1; SMN2BRAF
SCHEMBL4851442 0.86 TDP1 (0.65) TDP1SIRT6HSPB1HPGDALDH1A1

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-2011117254-A1 PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR PROSIDION LIMITED (GB) 2011-09-29 WO disclosed