SCHEMBL7272979

SCHEMBL7272979

COC(=O)C1=C(C)Nc2c(c(C)nn2C)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.62
MEN1 O00255 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
THPO P40225 1/20 0.62
NR3C2 P08235 1/20 0.61
ACHE P22303 4/20 0.56
CACNA1C Q13936 3/20 0.55
ADORA3 P0DMS8 2/20 0.55

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
SCHEMBL10578289 0.92 HIF1A (0.62) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7278678 0.91 CACNA1F (0.70) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7278542 0.90 MEN1 (0.59) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7282476 0.89 NR3C2 (0.62) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL11009628 0.88 MEN1 (0.59) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7280662 0.88 MAPT (0.57) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10576856 0.88 HIF1A (0.57) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7271774 0.87 CYP1A2 (0.61) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7436012 0.87 HIF1A (0.55) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10572158 0.87 ADORA3 (0.62) HIF1AMEN1CYP1A2CYP3A4CYP2C9

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
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed