SCHEMBL7319573

SCHEMBL7319573

COC(=O)C1=C(C)NC(C)=C(c2nc(CCl)ns2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
HIF1A Q16665 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
LMNA P02545 2/20 0.60
CYP2D6 P10635 2/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
THPO P40225 1/20 0.60
NR3C2 P08235 1/20 0.57
CACNA1C Q13936 3/20 0.54
CACNA1F O60840 2/20 0.54
CACNA1D Q01668 2/20 0.54

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
SCHEMBL7309680 0.86 CYP1A2 (0.65) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL7316659 0.83 MAPT (0.60) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL7315767 0.82 ABCB1 (0.51) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL7319662 0.81 CACNA1F (0.41) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL10990479 0.80 HIF1A (0.70) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL30648615 0.79 HIF1A (0.87) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL6455299 0.79 HIF1A (0.87) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL9433679 0.79 HIF1A (0.63) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL9433420 0.78 HIF1A (0.66) MAPTHIF1AMEN1KMT2ACYP1A2
SCHEMBL9433968 0.78 HIF1A (0.66) MAPTHIF1AMEN1KMT2ACYP1A2

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-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP disclosed