SCHEMBL1837772

SCHEMBL1837772

CCOC(=O)COc1ccc(OCC(C2CCCCC2)C2(c3ccc(Cl)cc3)Nc3cc(F)c(F)cc3N2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
PPOX P50336 1/20 0.37
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB3 P13945 1/20 0.35
PPARD Q03181 2/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL1842673 0.92 PPARD (0.43) HPGDSMN1; SMN2LMNAPPARDPTGDR
SCHEMBL1840527 0.86 ADRB3 (0.35) HPGDPPOXESR1ALDH1A1KDM4E
SCHEMBL1837083 0.84 GAA (0.39) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL1842508 0.84 GLA (0.43) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL1839136 0.83 NR1H4 (0.40) HPGDSMN1; SMN2LMNA
SCHEMBL1842591 0.82 NR1H4 (0.34) HPGDSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL1838536 0.82 SMN1; SMN2 (0.38) HPGDSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL1842633 0.81 CYP2C9 (0.35) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL1842335 0.81 PPARA (0.47) HPGDSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL1841448 0.81 PTGDR2 (0.38) HPGDMEN1KMT2APTGDRPTGDR2

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