SCHEMBL7413828

SCHEMBL7413828

CCOC(=O)N(C)C(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(C(N)c1ccc(C(=N)NC(=O)c3cccnc3)cc1)n2C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.37
F10 P00742 6/20 0.37
PLG P00747 3/20 0.37
ALDH1A1 P00352 3/20 0.34
ITK Q08881 3/20 0.33
PADI4 Q9UM07 1/20 0.32
STING1 Q86WV6 1/20 0.32
NAMPT P43490 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PHGDH O43175 1/20 0.32
INSR P06213 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7416844 0.94 F2 (0.39) F2F10PLGALDH1A1MAPT
SCHEMBL7418083 0.90 F2 (0.41) F2F10PLGALDH1A1MAPT
SCHEMBL7413405 0.89 F2 (0.40) F2F10PLGITKMAPK1
SCHEMBL7413417 0.88 F2 (0.41) F2F10PLGALDH1A1MAPT
SCHEMBL7100448 0.88 F2 (0.39) F2F10PLGMAPK1
SCHEMBL7420175 0.88 F2 (0.41) F2F10PLGMAPK1
SCHEMBL7407838 0.87 F2 (0.39) F2F10PLGMAPK1
SCHEMBL7413698 0.87 F2 (0.39) F2F10PLGALDH1A1
SCHEMBL7417231 0.87 F2 (0.38) F2F10PLGALDH1A1MAPT
SCHEMBL7488072 0.87 F2 (0.39) F2F10PLGALDH1A1MAPT

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-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed