SCHEMBL7272898

SCHEMBL7272898

CCCCOC(=O)C1=C(C)Nc2[nH]nc(-c3ccccc3)c2C1c1cccc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
CYP2C9 P11712 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ABCB11 O95342 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7347335 0.95 CYP2C9 (0.47) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7280619 0.86 CYP2C9 (0.54) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7282703 0.84 CACNA1F (0.46) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7272717 0.83 CACNA1F (0.44) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7272658 0.77 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7278464 0.76 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL10894427 0.76 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7278558 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL7282212 0.74 CACNA1B (0.55) LMNAKMT2AMAPTCACNA1FCACNA1D
SCHEMBL7272462 0.74 CACNA1F (0.52) ALDH1A1LMNACACNA1FCACNA1DCACNA1S

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