SCHEMBL1838536

SCHEMBL1838536

CCOC(=O)c1cccc(OCC(C2CCCCC2)C2(c3ccc(Cl)cc3)Nc3cc(F)c(F)cc3N2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ENPP2 Q13822 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MDM4 O15151 2/20 0.35
MDM2 Q00987 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
FAAH O00519 2/20 0.35
MAPT P10636 1/20 0.35
MGLL Q99685 1/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
CACNA1D Q01668 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1837083 0.91 GAA (0.39) SMN1; SMN2L3MBTL1TP53LMNAFAAH
SCHEMBL1839001 0.89 NR4A2 (0.42) SMN1; SMN2HPGDRAB9A
SCHEMBL1838605 0.87 ALOX15 (0.37) SMN1; SMN2RAB9AL3MBTL1MDM2TP53
SCHEMBL1839730 0.86 PPARA (0.41) SMN1; SMN2HPGDRAB9AMDM4MDM2
SCHEMBL1838732 0.84 FAAH (0.35) MDM4MDM2TP53FAAHMGLL
SCHEMBL1840762 0.82 PPARA (0.40) MAPT
SCHEMBL1842335 0.82 PPARA (0.47) SMN1; SMN2HPGDTP53LMNAMAPT
SCHEMBL1842633 0.82 CYP2C9 (0.35) TP53LMNAMAPTALDH1A1
SCHEMBL198628 0.81 NR1H4 (0.38) ENPP2
SCHEMBL1838591 0.81 LMNA (0.32) TP53LMNAMAPT

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