SCHEMBL14028580

SCHEMBL14028580

COCC(=O)c1cc2c(C3CCCN(C(=O)OC(C)(C)C)C3)cc(-c3c(OCc4ccc(OC)cc4)cccc3OCC3CC3)nc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.41
TLR9 Q9NR96 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
CHEK2 O96017 1/20 0.37
HTR6 P50406 1/20 0.36
SLC2A1 P11166 1/20 0.36
SCN9A Q15858 1/20 0.35
HTT P42858 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
BTK Q06187 1/20 0.34
PFKFB3 Q16875 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL4947771 0.93 PRMT5 (0.43) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL14339664 0.92 PRMT5 (0.42) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL4947749 0.91 HPGD (0.41) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL4946420 0.90 PRMT5 (0.42) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL4940406 0.90 PRMT5 (0.42) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL4946491 0.90 SCN9A (0.47) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL4947725 0.90 PRMT5 (0.39) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL4947196 0.88 PRMT5 (0.43) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL4945773 0.88 PRMT5 (0.41) PRMT5TLR9ALOX5APFEN1BCL9
SCHEMBL14028576 0.87 PRMT5 (0.42) PRMT5TLR9ALOX5APFEN1BCL9

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
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed