SCHEMBL7428306

SCHEMBL7428306

CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)c2c(C3CCCC3)nn(C)c2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
LMNA P02545 2/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
MAPT P10636 1/20 0.56
ADORA3 P0DMS8 3/20 0.53
NR1I2 O75469 2/20 0.53
AGTR1 P30556 2/20 0.53
PDE4D Q08499 2/20 0.53
NR3C1 P04150 1/20 0.53
ABCB1 P08183 1/20 0.53
TBXA2R P21731 1/20 0.53
CCKBR P32239 1/20 0.53

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 0.91 ACHE (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7430761 0.91 ACHE (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7434069 0.90 ACHE (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7280654 0.90 ACHE (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7429370 0.89 CACNA1F (0.62) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7436007 0.89 ACHE (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL10571240 0.89 CACNA1F (0.61) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10576794 0.88 CACNA1B (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10576786 0.88 CACNA1B (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10792333 0.88 CACNA1B (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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 6 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-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