SCHEMBL21093636

SCHEMBL21093636

Nc1cccnc1NC1CCCCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.47
LRRK2 Q5S007 2/20 0.44
PDE5A O76074 2/20 0.43
ACP1 P24666 2/20 0.43
OGG1 O15527 1/20 0.43
GBA1 P04062 4/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SLC2A1 P11166 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL5800694 1.00 KDM4E (0.55) KDM4EGAAMAPTHSD17B10LRRK2
SCHEMBL5778944 1.00 KDM4E (0.55) KDM4EGAAMAPTHSD17B10LRRK2
SCHEMBL19851082 1.00 KDM4E (0.55) KDM4EGAAMAPTHSD17B10LRRK2
SCHEMBL5775863 1.00 KDM4E (0.55) KDM4EGAAMAPTHSD17B10LRRK2
Hydrochloric Acid SCHEMBL11561576 0.98 KDM4E (0.53) KDM4EGAAMAPTHSD17B10LRRK2
SCHEMBL15965809 0.98 KDM4E (0.52) KDM4EGAAMAPTHSD17B10LRRK2
SCHEMBL5958267 0.91 UTS2R (0.43) KDM4EGAAMAPTHSD17B10LRRK2
SCHEMBL26349385 0.83 HRH3 (0.51) KDM4EMAPTHSD17B10LMNAKMT2A
SCHEMBL13351533 0.81 BRD4 (0.47) GAASMN1; SMN2
SCHEMBL23954467 0.79 KDM4E (0.64) KDM4EGAAMAPTHSD17B10KMT2A

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-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 EP disclosed