SCHEMBL9869076

SCHEMBL9869076

CCOC(=O)CCNC(=NC#N)Nc1ccc2nonc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.47
MAPT P10636 9/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
GAA P10253 3/20 0.39
TOP2A P11388 1/20 0.35
CASP1 P29466 2/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 2/20 0.34

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
SCHEMBL9868339 0.81 PTPN7 (0.52) PTPN7MAPTPOLBNPC1RAB9A
SCHEMBL9868414 0.67 RAB9A (0.54) PTPN7MAPTPOLBNPC1RAB9A
SCHEMBL6771856 0.66 ALDH1A1 (0.46) RAB9AALDH1A1LMNAMEN1KMT2A
SCHEMBL8409033 0.65 ALDH1A1 (0.54) PTPN7MAPTPOLBRAB9AALDH1A1
SCHEMBL23407738 0.62 NAMPT (0.69) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL20389255 0.62 NAMPT (0.69) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL9868325 0.62 MAPT (0.51) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL9868323 0.61 MAPT (0.57) PTPN7MAPTPOLBNPC1RAB9A
SCHEMBL4358300 0.61 ALDH1A1 (0.52) PTPN7MAPTNPC1RAB9AALDH1A1
SCHEMBL9791819 0.61 ALDH1A1 (0.61) POLBALDH1A1MEN1KMT2AHTT

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
US-4997667-A Pyridinyl compounds of N-carbamoyl-N-thiocarbamoyl- or N-amidino-glycine or beta-alanine useful as sweetening agents UNIVERSITE CLAUDE BERNARD (FR) 1991-03-05 US disclosed