SCHEMBL1841971

SCHEMBL1841971

COc1ccc(C2(C(COc3ccc(C(=O)O)cc3C(F)(F)F)C3CCCCC3)Nc3cc(F)c(F)cc3N2)c(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.35
RBP4 P02753 2/20 0.34
TTR P02766 2/20 0.34
PTK2 Q05397 5/20 0.33
KIF11 P52732 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
XDH P47989 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
SCN9A Q15858 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL1841219 0.92 NR1H4 (0.38) NR1H4LMNAMAPK1HTTRAB9A
SCHEMBL1841709 0.87 NR1H4 (0.38) NR1H4
SCHEMBL1838285 0.87 NR1H4 (0.37) NR1H4
SCHEMBL1836831 0.86 NR1H4 (0.36) NR1H4
SCHEMBL1840968 0.85 NR1H4 (0.38) NR1H4TTR
SCHEMBL197865 0.84 NR1H4 (0.37) NR1H4
SCHEMBL1839027 0.81 NR1H4 (0.37) NR1H4SCN9A
SCHEMBL1839973 0.81 NR1H4 (0.38) NR1H4
SCHEMBL1840602 0.81 NR1H4 (0.36) NR1H4
SCHEMBL1840000 0.81 NR1H4 (0.41) NR1H4RBP4TTRMRGPRX4RXRA

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-2321282-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO disclosed