SCHEMBL8034245

SCHEMBL8034245

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TNKS O95271 6/20 0.44
TNKS2 Q9H2K2 5/20 0.44
PARP2 Q9UGN5 3/20 0.44
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
PARP1 P09874 2/20 0.42
GUSB P08236 1/20 0.41
RHEB Q15382 1/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8677247 0.88 SMN1; SMN2 (0.62) SMN1; SMN2TNKSTNKS2PARP2ERCC1
SCHEMBL8022486 0.77 SMN1; SMN2 (0.47) SMN1; SMN2TNKSTNKS2PARP2ERCC1
SCHEMBL8043111 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TNKSTNKS2PARP2ERCC1
SCHEMBL8034473 0.71 ATM (0.47) SMN1; SMN2MAPK1GAAMAPTNPC1
SCHEMBL8026733 0.70 SIRT2 (0.56) SMN1; SMN2TNKSTNKS2PARP2MAPK1
SCHEMBL17942020 0.70 TNKS (0.67) SMN1; SMN2TNKSTNKS2PARP2PARP1
SCHEMBL14799969 0.70 PIN1 (0.51) SMN1; SMN2ERCC1FEN1ERCC4RHEB
SCHEMBL8986716 0.68 KMT2A (0.43) SMN1; SMN2MAPTNPC1NFKB1RAB9A
SCHEMBL8039605 0.68 CNR1 (0.41) GAAMAPT
SCHEMBL8036853 0.68 SIRT2 (0.54) TNKSTNKS2PARP2MAPK1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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