SCHEMBL2598100

SCHEMBL2598100

CC(=O)c1cccc(-c2ccc3c(c2)C(=O)NC[C@@H]2CNCC32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.52
PARP11 Q9NR21 1/20 0.52
TDP2 O95551 3/20 0.46
CHEK1 O14757 1/20 0.45
PGR P06401 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
MAPKAPK2 P49137 1/20 0.38
FYN P06241 2/20 0.37
CLK4 Q9HAZ1 3/20 0.36
DYRK1B Q9Y463 3/20 0.36
MAP4K4 O95819 2/20 0.36
KDR P35968 2/20 0.36

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
SCHEMBL2598099 1.00 PARP10 (0.52) PARP10PARP11TDP2CHEK1PGR
SCHEMBL14889351 1.00 PARP10 (0.52) PARP10PARP11TDP2CHEK1PGR
SCHEMBL14889350 1.00 PARP10 (0.52) PARP10PARP11TDP2CHEK1PGR
Hydrochloric Acid SCHEMBL1802163 0.99 PARP10 (0.51) PARP10PARP11TDP2CHEK1PGR
Hydrochloric Acid SCHEMBL2598188 0.99 PARP10 (0.51) PARP10PARP11TDP2CHEK1PGR
Hydrochloric Acid SCHEMBL1802164 0.99 PARP10 (0.51) PARP10PARP11TDP2CHEK1PGR
Hydrochloric Acid SCHEMBL2598189 0.99 PARP10 (0.51) PARP10PARP11TDP2CHEK1PGR
SCHEMBL1805533 0.89 ERN1 (0.45) PARP10PARP11CDK1CDK2MKNK2
SCHEMBL1805536 0.89 ERN1 (0.45) PARP10PARP11CDK1CDK2MKNK2
Hydrochloric Acid SCHEMBL1807077 0.88 ERN1 (0.44) PARP10PARP11CDK1CDK2MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP claimed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO claimed
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed