SCHEMBL9869428

SCHEMBL9869428

N=C(NCC(=O)O)Nc1ccc2nonc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
ENPP2 Q13822 2/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
EPAS1 Q99814 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
ABAT P80404 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TP53 P04637 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
SCHEMBL9868323 0.86 MAPT (0.57) MAPTNPC1RAB9APOLBADORA3
SCHEMBL4555454 0.75 NPC1 (0.74) MAPTNPC1RAB9APOLBENPP2
SCHEMBL9868414 0.75 RAB9A (0.54) MAPTNPC1RAB9APOLBADORA3
SCHEMBL4021787 0.74 ADORA3 (0.68) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL1708566 0.72 MAPT (0.57) MAPTNPC1RAB9APOLBADORA3
SCHEMBL11787774 0.72 ABAT (0.62) POLBSMN1; SMN2ABATKMT2ATP53
SCHEMBL25840795 0.71 ALDH1A1 (0.62) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL23328671 0.68 EPHX2 (0.54) NPC1RAB9APOLBALDH1A1KMT2A
SCHEMBL22092691 0.68 NPC1 (0.68) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL10522147 0.68 SAE1 (0.50) MAPTRAB9APOLBPKMALDH1A1

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