SCHEMBL8324858

SCHEMBL8324858

NC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.54
PTGER4 P35408 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
PARP10 Q53GL7 2/20 0.50
PARP1 P09874 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
ABCB1 P08183 5/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8322035 0.90 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8323831 0.86 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8322366 0.85 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8323719 0.79 PTGER1 (0.81) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8319847 0.78 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8677033 0.77 HTR1A (0.52) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL4001433 0.77 PARP1 (0.65) PTGER1PTGER4PTGER3PTGER2HTR1A
Hydrochloric Acid SCHEMBL8323525 0.77 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL4278858 0.76 PARP10 (0.64) PARP10PARP1SMPD1HDAC1HDAC8
SCHEMBL34465358 0.76 PARP10 (0.64) PARP10PARP1SMPD1HDAC1HDAC8

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
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed