SCHEMBL10666271

SCHEMBL10666271

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccccc2O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ CYP1A2 P05177 4/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ CYP2C9 P11712 4/20 0.68
▸ CYP2C19 P33261 4/20 0.68
▸ MAPT P10636 4/20 0.68
▸ LMNA P02545 3/20 0.68
▸ CYP2D6 P10635 2/20 0.68
▸ TSHR P16473 2/20 0.68
▸ NFKB1 P19838 2/20 0.68
▸ THPO P40225 2/20 0.68
▸ CACNA1C Q13936 6/20 0.66
▸ CACNA1F O60840 5/20 0.66
▸ CACNA1D Q01668 5/20 0.66
▸ CACNA1S Q13698 5/20 0.66
▸ ADORA3 P0DMS8 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ MLNR O43193 1/20 0.64
▸ NR1I2 O75469 1/20 0.64

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
SCHEMBL10661365 0.97 CACNA1F (0.67) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10662373 0.97 MEN1 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7487761 0.89 MEN1 (0.67) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10666762 0.88 CACNA1C (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7480490 0.87 MEN1 (0.65) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10670264 0.86 KMT2A (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9732923 0.86 MEN1 (0.88) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10668098 0.86 CACNA1F (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9476417 0.85 MEN1 (0.84) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7481094 0.84 CACNA1C (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 — — US disclosed
US-4656181-A CARDIOTONIC AGENTS CERMOL S.A. (CH) 1987-04-07 — — US disclosed
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