SCHEMBL10666185

SCHEMBL10666185

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(O)cc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ MAPT P10636 4/20 0.69
▸ CYP1A2 P05177 4/20 0.69
▸ CYP3A4 P08684 4/20 0.69
▸ CYP2C9 P11712 4/20 0.69
▸ CYP2C19 P33261 4/20 0.69
▸ HIF1A Q16665 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ THPO P40225 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ GPR55 Q9Y2T6 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.68
▸ CACNA1F O60840 3/20 0.65
▸ CACNA1D Q01668 3/20 0.65
▸ CACNA1S Q13698 3/20 0.65

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
SCHEMBL10664508 0.95 CACNA1F (0.73) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10662373 0.87 MEN1 (0.69) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL7379582 0.87 MEN1 (0.65) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9476417 0.86 MEN1 (0.84) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10756624 0.86 CYP1A2 (0.74) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL11036485 0.85 HIF1A (0.79) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL7483825 0.84 CACNA1F (0.76) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10661365 0.84 CACNA1F (0.67) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10759264 0.84 MEN1 (0.71) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL7379585 0.84 MEN1 (0.67) MEN1KMT2AMAPTCYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 — — US claimed
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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