SCHEMBL9388643

SCHEMBL9388643

CCCCn1c2c(c(=O)[nH]c1=O)C(c1ccc(F)cc1)C(C(=O)OCC)=C(C(C)C)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
BRDT Q58F21 5/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9387828 0.88 BRD4 (0.44) BRD4BRDTBRD2BRD3LMNA
SCHEMBL10518334 0.77 ACHE (0.43) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL2647704 0.76 CACNA1F (0.56) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL8949992 0.74 CACNA1F (0.47) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL2662903 0.73 CACNA1F (0.50) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL27310185 0.72 CACNA1F (0.52) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL8949895 0.72 CACNA1D (0.49) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL2648819 0.72 CACNA1F (0.70) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL8949808 0.71 CACNA1D (0.51) LMNAKDM4ECACNA1FCACNA1DCACNA1S
SCHEMBL10424324 0.71 CACNA1F (0.47) LMNAKDM4ECACNA1FCACNA1DCACNA1S

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
JP-2247179-A None JP disclosed
EP-0378850-B1 Substituted pyrido(2,3-d) pyrimidines BAYER AG (DE) 1994-04-06 EP disclosed
US-5145959-A Enzyme inhibitors; antilipemic agents; treatment of atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
US-5075311-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1991-12-24 US disclosed
JP-H02247179-A PYRIDO(2,3-D)PYRIMIDINE, ITS PREPARATION AND USE THEREOF BAYER AG 1990-10-02 JP disclosed
EP-0378850-A2 Substituted pyrido(2,3-d) pyrimidines BAYER AG (DE) 1990-07-25 EP disclosed