SCHEMBL9670397

SCHEMBL9670397

CCOCn1c(C(=O)OCC)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL16792476 0.88 KDM4E (0.51) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL19523362 0.87 KDM4E (0.50) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL24187368 0.83 KDM4E (0.56) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL4297543 0.83 KDM4E (0.56) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL28961226 0.82 KDM4E (0.55) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL30396830 0.82 KDM4E (0.55) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL7970314 0.81 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL20893365 0.80 RAB9A (0.57) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2
SCHEMBL23012695 0.75 KDM4E (0.48) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL4292449 0.75 KDM4E (0.48) KDM4EHSD17B10ALDH1A1POLBSMN1; SMN2

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-0254322-B1 BENZIMIDAZOLE DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-23 EP disclosed
US-4886803-A CARDIOTONIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-12-12 US disclosed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP disclosed