SCHEMBL10900830

SCHEMBL10900830

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CO2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
CYP1A2 P05177 4/20 0.76
CYP3A4 P08684 4/20 0.76
CYP2C9 P11712 4/20 0.76
CYP2C19 P33261 4/20 0.76
MAPT P10636 4/20 0.76
HIF1A Q16665 3/20 0.76
LMNA P02545 3/20 0.76
CYP2D6 P10635 2/20 0.76
TSHR P16473 2/20 0.76
NFKB1 P19838 2/20 0.76
THPO P40225 2/20 0.76
POLB P06746 1/20 0.76
MAPK1 P28482 1/20 0.76
GPR55 Q9Y2T6 1/20 0.76
CACNA1F O60840 2/20 0.69
CACNA1D Q01668 2/20 0.69
CACNA1S Q13698 2/20 0.69
CACNA1C Q13936 2/20 0.69

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
SCHEMBL7132512 0.90 POLB (0.75) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9765716 0.90 HIF1A (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11061948 0.88 HIF1A (0.79) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10391478 0.87 HIF1A (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10391543 0.87 HIF1A (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9476417 0.87 MEN1 (0.84) MEN1KMT2ACYP1A2CYP3A4CYP2C9
(R)-Nitrendipine SCHEMBL38973 0.87 HIF1A (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nitrendipine SCHEMBL15516493 0.87 HIF1A (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
(R)-Nitrendipine SCHEMBL30228952 0.87 HIF1A (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
(S)-Nitrendipine SCHEMBL120983 0.87 HIF1A (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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-4564619-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 US disclosed