SCHEMBL22912486

SCHEMBL22912486

COc1ccc2nc3cc(C)ccc3c(NCCCCCCCCCCCN(C)CCCCCCCCCCCNc3c4ccc(Cl)cc4nc4ccc(O)cc34)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.59
ADORA2A P29274 2/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
GSR P00390 7/20 0.57
USP2 O75604 4/20 0.49
TP53 P04637 3/20 0.49
CYP3A4 P08684 3/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
HBB P68871 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49
BRCA1 P38398 2/20 0.49
HIF1A Q16665 2/20 0.49
NPC1 O15118 1/20 0.49
PRNP P04156 1/20 0.49

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
SCHEMBL20087088 0.95 MBNL1 (0.64) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL20087038 0.95 MBNL1 (0.64) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL20087085 0.95 MBNL1 (0.64) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL18163883 0.91 MBNL1 (0.70) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL18163888 0.91 MBNL1 (0.70) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL18163885 0.91 MBNL1 (0.70) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL18163922 0.91 MBNL1 (0.70) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL18163842 0.91 MBNL1 (0.70) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL20091298 0.90 MBNL1 (0.71) MBNL1ADORA2AKMT2AMEN1TDP1
SCHEMBL18163843 0.89 MBNL1 (0.70) MBNL1ADORA2AKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283463-B1 DIMERIC QUINACRINE DERIVATIVES AS AUTOPHAGY INHIBITORS FOR CANCER THERAPY UNIV PENNSYLVANIA (US) 2021-01-20 EP disclosed