SCHEMBL2593560

SCHEMBL2593560

COc1ccc(F)cc1Nc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.60
RAD52 P43351 7/20 0.59
MAPK1 P28482 3/20 0.59
TSHR P16473 2/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
BCHE P06276 5/20 0.59
ACHE P22303 5/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
BLM P54132 2/20 0.59
KDM4E B2RXH2 3/20 0.58
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL2583768 0.89 RAD52 (0.71) SLC2A1RAD52MAPK1TSHRLMNA
SCHEMBL12176124 0.87 KMT2A (0.65) SLC2A1RAD52MAPK1TSHRLMNA
SCHEMBL2592385 0.86 RAD52 (0.60) SLC2A1RAD52MAPK1LMNABCHE
SCHEMBL2592170 0.83 SLC2A1 (0.69) SLC2A1RAD52MAPK1TSHRLMNA
SCHEMBL2583400 0.80 SLC2A1 (0.61) SLC2A1RAD52MAPK1TSHRLMNA
SCHEMBL12175940 0.78 SLC2A1 (0.70) SLC2A1RAD52MAPK1TSHRLMNA
SCHEMBL2590485 0.78 MAPT (0.71) SLC2A1RAD52MAPK1LMNABCHE
SCHEMBL2590855 0.78 RAD52 (0.82) RAD52MAPK1LMNABCHEACHE
SCHEMBL2583780 0.78 PDE5A (0.67) SLC2A1RAD52MAPK1TSHRLMNA
SCHEMBL30691665 0.77 HDAC8 (0.59) MAPK1TSHRLMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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