SCHEMBL3630779

SCHEMBL3630779

NC(=O)c1cccc(NC(=O)c2cc[nH]c(=O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.51
PARP10 Q53GL7 5/20 0.51
PARP15 Q460N3 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PLAU P00749 1/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
POLB P06746 1/20 0.48
PARP14 Q460N5 3/20 0.48
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
KCNH2 Q12809 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPKAPK2 P49137 1/20 0.46

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
SCHEMBL6163681 0.80 MEN1 (0.44) PARP1MEN1KMT2APOLB
SCHEMBL4004339 0.79 KCNK3 (0.76) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL29835051 0.77 PARP1 (0.53) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL3637225 0.77 TYK2 (0.73) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL15901904 0.76 NPC1 (0.61) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL28031075 0.76 KCNK3 (0.77) MEN1KMT2APLAUPOLBKCNK3
SCHEMBL3069463 0.76 PLAU (0.76) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL28155028 0.75 KMT2A (0.61) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL21446860 0.74 PLAU (0.78) MEN1KMT2APLAUSIRT2
SCHEMBL19303149 0.74 KMT2A (0.59) PARP1PARP10PARP15MEN1KMT2A

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-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO disclosed