SCHEMBL2583554

SCHEMBL2583554

Fc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 2/20 1.00
PDE5A O76074 9/20 0.83
GBA1 P04062 2/20 0.83
ATM Q13315 1/20 0.83
POLB P06746 3/20 0.79
PTGS1 P23219 2/20 0.71
TBXAS1 P24557 2/20 0.71
PTGS2 P35354 2/20 0.71
APP P05067 1/20 0.71
USP1 O94782 2/20 0.67
WDR48 Q8TAF3 2/20 0.67
ALDH1A1 P00352 3/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2D6 P10635 3/20 0.66
CYP2C19 P33261 3/20 0.66
MAPK1 P28482 2/20 0.66

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
SCHEMBL1084183 0.94 MEN1 (0.89) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL3459669 0.92 PDE5A (0.85) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL1083763 0.91 PDE5A (1.00) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL12176337 0.91 PDE5A (0.85) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL27899411 0.91 MEN1 (0.83) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL2580707 0.88 MEN1 (0.77) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL12176110 0.88 KMT2A (0.77) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL2591972 0.87 PDE5A (1.00) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL4857376 0.87 MEN1 (0.81) MEN1KMT2ALMNAMAPTPDE5A
SCHEMBL4864013 0.87 PDE5A (0.81) MEN1KMT2ALMNAMAPTPDE5A

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
CN-103068393-A Methods and compositions for inhibition of the transitional endoplasmic reticulum atpase CLEAVE BIOSCIENCES INC CLEAVE 2013-04-24 CN disclosed
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed