SCHEMBL7316659

SCHEMBL7316659

COC(=O)C1=C(C)NC(C)=C(c2nc(CCl)no2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
CYP1A2 P05177 4/20 0.60
CYP3A4 P08684 4/20 0.60
CYP2C9 P11712 4/20 0.60
CYP2C19 P33261 4/20 0.60
HIF1A Q16665 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 3/20 0.60
CYP2D6 P10635 3/20 0.60
TSHR P16473 2/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
GPR55 Q9Y2T6 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
SCHEMBL7315597 0.93 HIF1A (0.51) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7317021 0.91 CACNA1F (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7315290 0.91 PDE1C (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7321310 0.90 HIF1A (0.49) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10998252 0.89 MAPT (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10998756 0.89 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7310799 0.88 CACNA1F (0.54) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7318053 0.88 CACNA1F (0.59) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7320393 0.87 CYP1A2 (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7315909 0.86 ABCB1 (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP disclosed
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