SCHEMBL4787828

SCHEMBL4787828

O=c1c2ccccc2nc2c3ccccc3ncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
HSD17B10 Q99714 2/20 1.00
HPGD P15428 1/20 1.00
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
KEAP1 Q14145 1/20 0.48
CYP1B1 Q16678 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
USP5 P45974 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL30636803 1.00 KDM4E (1.00) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL9984386 0.79 KDM4E (0.65) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL16586809 0.77 KDM4E (0.63) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL24663283 0.76 KDM4E (0.61) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL11924611 0.76 KDM4E (0.61) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL31103501 0.76 KDM4E (0.61) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL10967918 0.75 KDM4E (0.60) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL10969790 0.72 KDM4E (0.57) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL12145661 0.72 KDM4E (0.57) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL7330343 0.72 KDM4E (0.57) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1

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
WO-2008122038-A1 REGULATING AUTOPHAGY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-09 WO disclosed