SCHEMBL8527068

SCHEMBL8527068

O=C(NCCN1CCNCC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CAMK2D Q13557 3/20 0.45
PBK Q96KB5 1/20 0.39
ULK1 O75385 1/20 0.38
SUV39H1 O43463 1/20 0.37
PRMT1 Q99873 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
PARP1 P09874 1/20 0.37
HASPIN Q8TF76 3/20 0.36
HTR4 Q13639 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BTK Q06187 1/20 0.36
CCR2 P41597 1/20 0.36
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35

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
Hydrochloric Acid SCHEMBL7986275 0.99 KDM4E (0.50) L3MBTL1KDM4EGAAHSD17B10CAMK2D
Hydrochloric Acid SCHEMBL7982276 0.93 GAA (0.44) L3MBTL1KDM4EGAAHSD17B10CAMK2D
Hydrochloric Acid SCHEMBL7972033 0.90 L3MBTL1 (0.41) L3MBTL1KDM4EGAAHSD17B10CAMK2D
SCHEMBL7972040 0.84 SIGMAR1 (0.40) KDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7982606 0.83 FAAH (0.39) KDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL7983069 0.82 ITGB3 (0.44) L3MBTL1
Hydrochloric Acid SCHEMBL7981928 0.82 ALDH1A1 (0.36) L3MBTL1KDM4EGAAHSD17B10MEN1
Hydrochloric Acid SCHEMBL7982284 0.81 NAMPT (0.42)
SCHEMBL7985583 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7986288 0.80 DRD3 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed