SCHEMBL9868323

SCHEMBL9868323

O=C(O)CNC(=O)Nc1ccc2nonc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
POLB P06746 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
PRMT3 O60678 3/20 0.43
EHMT2 Q96KQ7 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL9869428 0.86 MAPT (0.48) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL9868414 0.86 RAB9A (0.54) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL4555454 0.84 NPC1 (0.74) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL18025316 0.80 NPC1 (0.69) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL10220064 0.76 NPC1 (0.68) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL22092691 0.76 NPC1 (0.68) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL4021787 0.76 ADORA3 (0.68) MAPTKDM4EADORA3ADORA2AADORA2B
SCHEMBL1708566 0.74 MAPT (0.57) MAPTPOLBRAB9ANPC1ALDH1A1
SCHEMBL881870 0.74 EPHX2 (0.60) MAPTPOLBRAB9ANPC1ADORA3
SCHEMBL17898130 0.73 NPC1 (0.74) MAPTPOLBRAB9ANPC1ALDH1A1

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
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
EP-0321369-A1 Heterocyclic sweeteners derived from N-carbamoyl-, N-thiocarbamoyl or N-amidino-glycine or beta-alanine UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1989-06-21 EP disclosed