SCHEMBL7280478

SCHEMBL7280478

COC(=O)C1=C(C)Nc2c(c(C(C)(C)C)nn2C)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.55
CACNA1D Q01668 2/20 0.55
CACNA1S Q13698 2/20 0.55
CACNA1C Q13936 2/20 0.55
GUSB P08236 1/20 0.52
GAA P10253 4/20 0.48
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
PDE1C Q14123 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL7272617 0.90 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7280395 0.86 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7272944 0.85 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7282476 0.84 NR3C2 (0.62) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7280076 0.80 ACHE (0.51) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9022136 0.80 CACNA1F (0.79) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7273223 0.78 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7271467 0.78 KDM4E (0.41) CACNA1FCACNA1DCACNA1SCACNA1CGAA
SCHEMBL10576533 0.77 HIF1A (0.59) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7272453 0.77 GAA (0.45) GAALMNAALDH1A1KMT2AKDM4E

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