SCHEMBL9387828

SCHEMBL9387828

CCOC(=O)C1=C(C(C)C)Nc2c(c(=O)[nH]c(=O)n2C)C1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ACHE P22303 1/20 0.40
PTPN1 P18031 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL9388643 0.88 BRD4 (0.47) BRD4BRD2BRD3BRDTLMNA
SCHEMBL10518334 0.80 ACHE (0.43) LMNAMAPTPOLBHTTCACNA1F
SCHEMBL2647704 0.80 CACNA1F (0.56) LMNAMAPTPOLBCACNA1FCACNA1D
SCHEMBL2662903 0.77 CACNA1F (0.50) LMNAMAPTPOLBCACNA1FCACNA1D
SCHEMBL27310185 0.76 CACNA1F (0.52) LMNAMAPTPOLBCACNA1FCACNA1D
SCHEMBL8949808 0.75 CACNA1D (0.51) LMNAMAPTPOLBCACNA1FCACNA1D
SCHEMBL10424324 0.75 CACNA1F (0.47) LMNAMAPTPOLBCACNA1FCACNA1D
SCHEMBL2648819 0.73 CACNA1F (0.70) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL8949895 0.73 CACNA1D (0.49) LMNAMAPTPOLBCACNA1FCACNA1D
SCHEMBL8949606 0.72 CACNA1F (0.48) LMNAMAPTPOLBMEN1KMT2A

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-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