SCHEMBL7947149

SCHEMBL7947149

O=C1CCCc2c1cc(C(=NOCc1ccccc1)OCc1ccccc1)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
CCR2 P41597 7/20 0.37
KDM1A O60341 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.36
SCD O00767 1/20 0.36
OPRK1 P41145 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL7049658 0.86 BRD4 (0.50) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL7047694 0.80 BRD4 (0.50) BRD4LMNAMAPTRAB9ACCR2
SCHEMBL7050825 0.78 CCR2 (0.39) LMNAMAPTRAB9ACCR2KDM1A
SCHEMBL7052377 0.78 CCR2 (0.53) BRD4LMNAMAPTRAB9ACCR2
SCHEMBL7047693 0.77 CCR2 (0.48) CCR2
SCHEMBL7048043 0.72 BRD4 (0.44) BRD4LMNAMAPTRAB9ACCR2
SCHEMBL7046244 0.69 CCR2 (0.40) LMNAMAPTRAB9ACCR2KDM1A
SCHEMBL7047624 0.69 CCR2 (0.39) LMNAMAPTCCR2KDM1ASIGMAR1
SCHEMBL7049651 0.69 RAB9A (0.48) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL7048041 0.67 CCR2 (0.45) CCR2

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
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 US disclosed
EP-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed