SCHEMBL14255673

SCHEMBL14255673

O=C=NCc1cccc(CNO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ MIF P14174 2/20 0.38
▸ NOS2 P35228 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ ESR1 P03372 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
SCHEMBL5465655 0.85 MIF (0.47) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26785 0.85 MIF (0.47) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22471928 0.83 MIF (0.46) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28048374 0.83 MIF (0.46) NOS1GRIN2DGRIN3BGRIN1GRIN2A
Water SCHEMBL14972890 0.83 MIF (0.46) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28478205 0.82 GRIN2B (0.42) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6437951 0.81 MIF (0.44) NOS1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24185372 0.81 NOS2 (0.47) NOS2ALDH1A1MAPTHPGDESR1
SCHEMBL30118863 0.81 ALDH1A1 (0.42) NOS2ALDH1A1LMNAMAPTPKM
SCHEMBL28968685 0.81 ALDH1A1 (0.42) NOS2ALDH1A1LMNAMAPTPKM

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
EP-1391296-B1 Presensitized lithographic plate comprising microcapsules FUJIFILM CORP (JP) 2008-03-26 — — EP disclosed
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