SCHEMBL9868339

SCHEMBL9868339

CCOC(=O)CCNC(=S)Nc1ccc2nonc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.52
MAPT P10636 8/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
NSD2 O96028 1/20 0.43
BLM P54132 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL9869076 0.81 PTPN7 (0.47) PTPN7MAPTPOLBNPC1RAB9A
SCHEMBL9877025 0.76 RECQL (0.67) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL11829791 0.74 BCL6 (0.55) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL9868414 0.71 RAB9A (0.54) PTPN7MAPTPOLBNPC1RAB9A
SCHEMBL7390968 0.70 ITGB3 (0.54) MAPTPOLBKDM4EALDH1A1GAA
SCHEMBL9868330 0.67 SMN1; SMN2 (0.40) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL9868243 0.66 MAPT (0.50) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL9868325 0.66 MAPT (0.51) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL9868323 0.65 MAPT (0.57) PTPN7MAPTPOLBNPC1RAB9A
SCHEMBL13805448 0.65 ALDH1A1 (0.63) MAPTPOLBKDM4EALDH1A1GAA

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