SCHEMBL8337276

SCHEMBL8337276

NC(=O)c1cc(Br)ccc1OCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.49
MAPK8 P45983 1/20 0.46
CCR5 P51681 3/20 0.46
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP1 P09874 1/20 0.44
LRRK2 Q5S007 3/20 0.44
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAOB P27338 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL8337229 0.85 MAOB (0.53) PTGER1CCR5PARP1LRRK2LMNA
SCHEMBL6700864 0.82 RXRA (0.51) PTGER1USP28USP25MRGPRX4MAOB
SCHEMBL8337852 0.82 PTGES (0.59) CCR5PARP15PARP10PARP1LRRK2
SCHEMBL8336987 0.81 LRRK2 (0.53) CCR5PARP15PARP1LRRK2LMNA
SCHEMBL4723723 0.80 LRRK2 (0.58) CCR5PARP1LRRK2LMNA
SCHEMBL30900302 0.80 DGAT1 (0.50) PARP1MAOBSLC6A4
SCHEMBL6700568 0.80 MAOB (0.48) PTGER1CCR5LRRK2USP28USP25
SCHEMBL6702523 0.78 PTGER1 (0.47) PTGER1USP28USP25MRGPRX4MAOB
SCHEMBL2534007 0.78 PTGDR2 (0.49) PTGER1CCR5USP28USP25LMNA
SCHEMBL30679656 0.78 PTGDR2 (0.49) PTGER1CCR5USP28USP25LMNA

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-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed