SCHEMBL2587104

SCHEMBL2587104

COc1cccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.76
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 2/20 0.71
LMNA P02545 2/20 0.71
USP2 O75604 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
CYP2C19 P33261 1/20 0.71
HSD17B10 Q99714 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
RAD52 P43351 1/20 0.70
SLC2A1 P11166 1/20 0.69
MAPT P10636 2/20 0.68
KDM4E B2RXH2 1/20 0.68
PKM P14618 1/20 0.68

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
SCHEMBL30125191 0.90 HTT (0.72) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL23747980 0.90 HTT (0.72) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL2586993 0.88 SLC2A1 (0.81) APPKMT2AALDH1A1LMNAUSP2
SCHEMBL2255109 0.88 SLC2A1 (0.81) APPKMT2AALDH1A1LMNAUSP2
SCHEMBL22343385 0.88 KMT2A (0.67) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL29490079 0.88 KMT2A (0.67) APPKMT2AMEN1ALDH1A1LMNA
SCHEMBL4867976 0.88 APP (0.76) APPKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3640013 0.87 SLC2A1 (0.80) APPKMT2AALDH1A1LMNAUSP2
SCHEMBL2590209 0.87 EGFR (0.69) APPKMT2AALDH1A1LMNAUSP2
SCHEMBL3108468 0.86 APP (0.74) APPKMT2AMEN1ALDH1A1LMNA

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