SCHEMBL11403178

SCHEMBL11403178

Cc1cc(N)nc(NC(C)(O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12498992 0.74 NOS3 (0.48) MAPTNOS3NOS1NOS2KMT2A
SCHEMBL10862753 0.71 MAPT (0.38) MAPTKMT2AGAAMEN1SMN1; SMN2
SCHEMBL22119463 0.71 NOS2 (0.45) MAPTNOS3NOS1NOS2GAA
SCHEMBL12411157 0.69 HRH4 (0.51) NOS3NOS1NOS2KMT2AGAA
SCHEMBL23025113 0.69 KMT2A (0.73) NOS3NOS1NOS2KMT2AGAA
SCHEMBL14946746 0.69 RAB9A (0.51) MAPTKMT2AGAAMAPK1MEN1
SCHEMBL12883321 0.69 MAPT (0.59) MAPTKMT2AGAAMAPK1MEN1
SCHEMBL11403184 0.68 LMNA (0.47) MAPTNOS3NOS1NOS2KMT2A
SCHEMBL11432228 0.67 MAPT (0.34) MAPTSMN1; SMN2LMNA
SCHEMBL14842309 0.67 NOS2 (0.50) MAPTNOS3NOS1NOS2CYP3A4

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-0032625-A2 Water-soluble monoazo dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-29 EP disclosed