SCHEMBL8043111

SCHEMBL8043111

COC(=O)c1c(CC(C)C)nc(-c2ccc(Cl)cc2)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TNKS O95271 5/20 0.42
TNKS2 Q9H2K2 4/20 0.42
PARP2 Q9UGN5 3/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
RHEB Q15382 1/20 0.40
GUSB P08236 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
EGFR P00533 1/20 0.39
PARP1 P09874 1/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 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
SCHEMBL8038367 0.77 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL8032664 0.76 CNR2 (0.42) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL8034245 0.76 SMN1; SMN2 (0.48) SMN1; SMN2TNKSTNKS2PARP2ERCC1
SCHEMBL8036853 0.76 SIRT2 (0.54) TNKSTNKS2PARP2SIRT2SIRT1
SCHEMBL8022486 0.75 SMN1; SMN2 (0.47) SMN1; SMN2TNKSTNKS2PARP2ERCC1
SCHEMBL8032162 0.74 SIRT2 (0.52) TNKSTNKS2PARP2SIRT2SIRT1
SCHEMBL8040669 0.74 NPSR1 (0.42) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL8031508 0.74 ATM (0.46) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL8041741 0.73 NPSR1 (0.42) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL8024878 0.73 NAMPT (0.40) SMN1; SMN2MAPTNPC1RAB9ANFKB1

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
WO-2009080242-A1 SUBSTITUTED 4-AMINOPYRIMIDINE-5-CARBOXYLIC ACID AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed