SCHEMBL9868414

SCHEMBL9868414

O=C(O)CCNC(=O)Nc1ccc2nonc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
POLB P06746 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
EPHX1 P07099 1/20 0.46
S1PR1 P21453 1/20 0.46
PTPN7 P35236 6/20 0.45
MEN1 O00255 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
MCL1 Q07820 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
THRB P10828 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
SCHEMBL9868323 0.86 MAPT (0.57) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL4555454 0.82 NPC1 (0.74) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL9867876 0.80 NPC1 (0.41) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL18025316 0.78 NPC1 (0.69) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL9869428 0.75 MAPT (0.48) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL22092691 0.74 NPC1 (0.68) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL10220064 0.74 NPC1 (0.68) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL1708566 0.72 MAPT (0.57) RAB9APOLBMAPTNPC1ALDH1A1
SCHEMBL881870 0.72 EPHX2 (0.60) RAB9APOLBMAPTNPC1PTPN7
SCHEMBL20335072 0.72 ITGB3 (0.63) RAB9APOLBNPC1ALDH1A1KDM4E

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