SCHEMBL7562865

SCHEMBL7562865

CC(c1nc2cc(OCc3ccccc3)c(F)cc2[nH]1)c1nc2ccc(C(=O)O)cc2n1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NR1H4 Q96RI1 8/20 0.42
EGLN1 Q9GZT9 2/20 0.41
GLP1R P43220 1/20 0.41
PPARG P37231 4/20 0.40
PTGER1 P34995 1/20 0.39
MLKL Q8NB16 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL7480434 0.79 AURKA (0.47) NR1H4MLKL
SCHEMBL7069637 0.77 TPSAB1 (0.44)
SCHEMBL7075022 0.75 TPSAB1 (0.44)
SCHEMBL7072630 0.72 TPSAB1 (0.44)
SCHEMBL7075803 0.72 TPSAB1 (0.46)
SCHEMBL7072043 0.72 TPSAB1 (0.42)
SCHEMBL7482199 0.71 PIN1 (0.38)
SCHEMBL7067767 0.71 NR1H4 (0.42) NR1H4GLP1R
SCHEMBL7071633 0.71 TPSAB1 (0.48)
SCHEMBL7405580 0.71 TPSAB1 (0.40) PPARG

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-1117651-A1 NEW BIS-BENZIMIDAZOLES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000020401-A1 NEW BIS-BENZIMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-13 WO disclosed