SCHEMBL7270984

SCHEMBL7270984

COC(=O)C1=C(C)Nc2[nH]nc(-c3ccccc3)c2C1c1ccccc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
CYP2C9 P11712 7/20 0.45
KDM4E B2RXH2 6/20 0.45
ADORA3 P0DMS8 6/20 0.45
CYP1A2 P05177 6/20 0.45
CYP3A4 P08684 6/20 0.45
CYP2C19 P33261 6/20 0.45
HSD17B10 Q99714 5/20 0.45
CACNA1C Q13936 5/20 0.45
TSHR P16473 5/20 0.45
KMT2A Q03164 4/20 0.45
NFKB1 P19838 4/20 0.45
CACNA1F O60840 3/20 0.45
CACNA1D Q01668 3/20 0.45
CACNA1S Q13698 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP2D6 P10635 3/20 0.45

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
SCHEMBL7281794 0.85 NR1I2 (0.45) MAPTCYP2C9KDM4EADORA3CYP1A2
SCHEMBL10951482 0.80 CYP2C9 (0.64) MAPTCYP2C9KDM4EADORA3CYP1A2
SCHEMBL7279849 0.79 CACNA1F (0.39) MAPTKDM4ECACNA1CCACNA1FCACNA1D
SCHEMBL7278646 0.77 CACNA1F (0.57) MAPTADORA3CACNA1CKMT2ACACNA1F
SCHEMBL7273170 0.77 MAPT (0.61) MAPTCYP2C9KDM4EADORA3CYP1A2
SCHEMBL7282344 0.75 ACHE (0.55) MAPTCYP2C9KDM4EADORA3CYP1A2
SCHEMBL7278768 0.75 CACNA1D (0.53) KDM4EADORA3HSD17B10CACNA1CTSHR
SCHEMBL7271011 0.75 CACNA1C (0.44) MAPTCYP2C9KDM4EADORA3CYP1A2
SCHEMBL7279903 0.75 CACNA1C (0.44) MAPTCYP2C9KDM4EADORA3CYP1A2
SCHEMBL7282703 0.75 CACNA1F (0.46) MAPTCACNA1CKMT2ACACNA1FCACNA1D

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-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
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed