SCHEMBL2580707

SCHEMBL2580707

COc1ccc(-c2nc(NCc3ccc(F)cc3)c3ccccc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.77
▸ KMT2A Q03164 4/20 0.77
▸ LMNA P02545 3/20 0.77
▸ MAPT P10636 1/20 0.77
▸ USP1 O94782 3/20 0.67
▸ WDR48 Q8TAF3 3/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ USP2 O75604 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CLK4 Q9HAZ1 1/20 0.67
▸ APP P05067 2/20 0.65
▸ PDE5A O76074 3/20 0.64
▸ GBA1 P04062 1/20 0.64

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
SCHEMBL12176090 0.95 LMNA (0.72) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL12176088 0.93 LMNA (0.76) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL27899407 0.91 LMNA (0.67) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL4866252 0.90 PDE5A (0.78) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL12176338 0.90 PDE5A (0.78) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL2583554 0.88 MEN1 (1.00) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL1084183 0.88 MEN1 (0.89) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL27899411 0.87 MEN1 (0.83) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL12176337 0.84 PDE5A (0.85) MEN1KMT2ALMNAMAPTUSP1
SCHEMBL3121699 0.84 APP (0.73) MEN1KMT2ALMNAMAPTUSP1

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
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