SCHEMBL7280662

SCHEMBL7280662

COC(=O)C1=C(C)Nc2c(c(-c3ccccc3)nn2C)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
CYP1A2 P05177 5/20 0.57
CYP3A4 P08684 5/20 0.57
CYP2C9 P11712 5/20 0.57
CYP2C19 P33261 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CYP2D6 P10635 4/20 0.57
HIF1A Q16665 3/20 0.57
LMNA P02545 3/20 0.57
TSHR P16473 2/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
NR3C2 P08235 1/20 0.56
TDP1 Q9NUW8 4/20 0.55
ABCB1 P08183 3/20 0.52
ADRA2A P08913 3/20 0.52

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
SCHEMBL7282043 0.91 CACNA1F (0.64) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10792323 0.91 CACNA1B (0.49) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10577322 0.91 HIF1A (0.54) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7273239 0.90 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7272979 0.88 HIF1A (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10578289 0.88 HIF1A (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7436012 0.88 HIF1A (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10578436 0.87 HIF1A (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10573668 0.86 HIF1A (0.54) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11091517 0.86 HIF1A (0.54) 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 8 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
EP-0107619-B1 DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1987-07-29 EP claimed
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
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-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 EP disclosed