SCHEMBL8459209

SCHEMBL8459209

Cn1c(CCCCl)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 5/20 0.45
CYP3A4 P08684 1/20 0.45
PMP22 Q01453 1/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 3/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.43
MDM2 Q00987 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6944694 0.87 SMN1; SMN2 (0.56) GAAL3MBTL1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11290176 0.85 KDM4E (0.59) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10
SCHEMBL515910 0.84 GAA (0.53) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5085665 0.84 MAPK1 (0.56) GAAL3MBTL1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL315739 0.83 HSD17B10 (0.56) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8002917 0.83 SMN1; SMN2 (0.48) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8952544 0.83 GAA (0.49) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10
SCHEMBL11152443 0.83 GAA (0.49) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8802726 0.83 KDM4E (0.56) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8952581 0.83 KDM4E (0.56) GAAL3MBTL1SMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed