SCHEMBL8602001

SCHEMBL8602001

COc1cccc(C)c1NC(=O)c1cccc2c1nc(C(F)(F)F)n2CCOC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
THRB P10828 1/20 0.38
KCNK3 O14649 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
PTGES O14684 1/20 0.36
DHODH Q02127 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP3K5 Q99683 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 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
SCHEMBL8596537 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKCNK3
SCHEMBL8600336 0.85 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL8598294 0.83 DCTPP1 (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8598135 0.79 IRAK4 (0.44) KMT2ADHODHMAPT
SCHEMBL8598511 0.72 PTGES (0.41) KMT2ATP53POLBPTGES
SCHEMBL8598600 0.71 THRB (0.42) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL8595606 0.71 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8598543 0.71 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8601221 0.70 HPGD (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8600059 0.70 PTGES (0.40) PDE4APDE4BPDE4CPDE4DTHRB

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-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed