SCHEMBL6960197

SCHEMBL6960197

[CH2]OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GPR35 Q9HC97 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.47
HIF1A Q16665 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TXNRD1 Q16881 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
SCHEMBL11130755 0.86 CES2 (0.58) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL9502855 0.86 CES2 (0.58) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL30179515 0.85 CES2 (0.56) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL11169142 0.85 CES2 (0.56) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL23037541 0.83 CES2 (0.55) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL6960199 0.83 KDM4E (0.55) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL11459254 0.81 CES2 (0.59) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL5341177 0.80 CES2 (0.63) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL6750268 0.80 SMN1; SMN2 (0.65) CES2POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL503450 0.79 CES2 (0.66) CES2POLBMAPTALDH1A1SMN1; 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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed