SCHEMBL2499503

SCHEMBL2499503

Nc1nc(N)nc(C=Cc2ccncc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
NPC1 O15118 4/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HBB P68871 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH4 Q9H3N8 3/20 0.42
LMNA P02545 2/20 0.41
JUN P05412 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
SCHEMBL2499501 1.00 MAPT (0.48) MAPTNPC1GFERSMN1; SMN2MEN1
SCHEMBL4920814 0.87 HRH4 (0.49) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL31484371 0.81 HRH4 (0.58) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL28773675 0.81 HRH4 (0.58) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4912865 0.78 HRH4 (0.43) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4912873 0.78 HRH4 (0.43) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL107198 0.76 MAPT (0.61) MAPTNPC1GFERSMN1; SMN2MEN1
SCHEMBL138489 0.76 MAPT (0.61) MAPTNPC1GFERSMN1; SMN2MEN1
SCHEMBL9966009 0.74 MAPT (0.65) MAPTNPC1GFERSMN1; SMN2MEN1
SCHEMBL31175769 0.74 MAPT (0.58) MAPTNPC1GFERSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150024423-A1 Programmed Surface Enhanced Spectroscopy Particles SICPA HOLDING SA (CH) 2015-01-22 US disclosed
US-20110242531-A1 Programmed Surface Enhanced Spectroscopy Particles CABOT SECURITY MATERIALS INC. (US) 2011-10-06 US disclosed
EP-2370805-A1 PROGRAMMED SURFACE ENHANCED SPECTROSCOPY PARTICLES Cabot Security Materials Inc. (US) 2011-10-05 EP disclosed
WO-2010075534-A1 PROGRAMMED SURFACE ENHANCED SPECTROSCOPY PARTICLES OXONICA MATERIALS, INC. (US) 2010-07-01 WO disclosed