SCHEMBL7436007

SCHEMBL7436007

COC(=O)C1=C(C)Nc2c(c(C3CCC3)nn2C)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.56
HIF1A Q16665 3/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55
NR3C2 P08235 1/20 0.54
ABCB1 P08183 3/20 0.50
ADORA3 P0DMS8 2/20 0.49

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
SCHEMBL31194769 0.98 ACHE (0.56) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL7430761 0.98 ACHE (0.56) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL7280654 0.97 ACHE (0.56) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL7434069 0.97 ACHE (0.56) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL10576856 0.97 HIF1A (0.57) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL10575518 0.93 ACHE (0.56) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL11004587 0.93 ACHE (0.54) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL11004373 0.92 NR3C2 (0.57) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL11006835 0.91 ACHE (0.55) ACHEHIF1AMEN1CYP1A2CYP3A4
SCHEMBL10789422 0.91 CACNA1B (0.45) ACHEHIF1AMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355234-A1 Pyrazolopyridine derivatives as antiatherosclerotic and antihypercholesterolemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-28 EP claimed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US claimed
EP-0107619-B1 DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1987-07-29 EP claimed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 EP claimed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US disclosed
EP-0107619-B1 DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 EP disclosed