SCHEMBL4402841

SCHEMBL4402841

BC1=CCC(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CES2 O00748 2/20 0.39
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL31545085 0.76 LMNA (0.70) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL5698477 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL4440899 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL13782375 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL9706627 0.74 LMNA (0.47) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL6435607 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL13726989 0.74 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL13985486 0.72 LMNA (0.41) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL17002563 0.71 DRD3 (0.47) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL7792048 0.71 LMNA (0.40) LMNACES2MEN1CYP3A4ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed