SCHEMBL9875606

SCHEMBL9875606

C=CCOC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1OC(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.56
MAPT P10636 8/20 0.50
CYP1A2 P05177 5/20 0.50
ADORA3 P0DMS8 5/20 0.50
KMT2A Q03164 5/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 4/20 0.50
MEN1 O00255 4/20 0.50
TSHR P16473 4/20 0.50
CACNA1C Q13936 4/20 0.50
NFKB1 P19838 3/20 0.50
CYP2D6 P10635 2/20 0.50
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL9874899 0.89 NR1I2 (0.61) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL10514721 0.87 NR1I2 (0.47) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9875706 0.87 NR1I2 (0.56) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9875316 0.86 TSHR (0.62) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9879881 0.86 NR1I2 (0.57) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9875988 0.85 NR1I2 (0.61) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9876106 0.85 NR1I2 (0.56) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9875549 0.85 NR1I2 (0.53) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9875688 0.84 NR1I2 (0.55) NR1I2MAPTCYP1A2ADORA3KMT2A
SCHEMBL9875602 0.84 NR1I2 (0.55) NR1I2MAPTCYP1A2ADORA3KMT2A

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-5008279-A Circulation-active fluoromethoxyphenyl dihydropyridine compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed