SCHEMBL9529035

SCHEMBL9529035

[N]c1ccc2cn[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.59
METAP2 P50579 3/20 0.59
MAPT P10636 3/20 0.59
DYRK1A Q13627 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
FGFR1 P11362 6/20 0.53
FGFR2 P21802 2/20 0.52
FGFR3 P22607 1/20 0.52
CYP3A4 P08684 3/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
HSP90AA1 P07900 1/20 0.50
IDO1 P14902 1/20 0.50
CDK2 P24941 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HIF1A Q16665 3/20 0.49

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
SCHEMBL993762 0.78 NOS1 (0.59) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29741144 0.74 FGFR1 (0.72) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29402104 0.74 NOS1 (0.70) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29364542 0.74 NOS1 (1.00) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL177260 0.74 MAPT (1.00) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL24046742 0.74 NOS1 (0.59) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29521067 0.74 NOS1 (1.00) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL5902 0.74 NOS1 (1.00) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL1141578 0.74 NOS1 (0.70) NOS1METAP2MAPTDYRK1AKDM4E
SCHEMBL29559746 0.74 MAPT (1.00) NOS1METAP2MAPTDYRK1AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP claimed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO claimed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP claimed