SCHEMBL9634744

SCHEMBL9634744

O=CC(Oc1ccc([N+](=O)[O-])cc1)C(O)C(O)C(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL707743 1.00 MEN1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1582160 1.00 MEN1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8603750 1.00 MEN1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10583549 0.99 MEN1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10582879 0.96 KMT2A (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7913872 0.81 APP (0.35) CYP3A4LMNATDP1ALDH1A1TSHR
SCHEMBL9191589 0.81 APP (0.35) CYP3A4LMNATDP1ALDH1A1TSHR
SCHEMBL8593832 0.81 LMNA (0.34) MEN1KMT2AGAALMNATDP1
SCHEMBL2786997 0.81 KMT2A (0.40) MEN1KMT2AGAABCL9CTNNB1
SCHEMBL5822045 0.80 LMNA (0.35) LMNATDP1MAPTALDH1A1

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
EP-0272691-B1 ENZYME IMMUNOASSAY FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1992-07-08 EP disclosed
EP-0272691-A2 Enzyme immunoassay FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1988-06-29 EP disclosed