SCHEMBL13359703

SCHEMBL13359703

CCCCOc1ccc(Nc2nc(NCc3ccc(OC)cc3)nc(NC3CCCCC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.59
CTSK P43235 3/20 0.59
CTSL P07711 2/20 0.59
GALR2 O43603 5/20 0.49
GALR1 P47211 5/20 0.49
MERTK Q12866 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTSB P07858 1/20 0.47
BLM P54132 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.46
SHMT2 P34897 1/20 0.45
KCNH3 Q9ULD8 1/20 0.45

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
SCHEMBL3290227 0.92 CTSL (0.61) CTSSCTSKCTSLGALR2GALR1
SCHEMBL3289389 0.92 CTSL (0.68) CTSSCTSKCTSLGALR2GALR1
SCHEMBL3287006 0.86 CTSL (0.61) CTSSCTSKCTSLGALR2GALR1
SCHEMBL3289272 0.86 CTSL (0.57) CTSSCTSKCTSLGALR2GALR1
SCHEMBL3287378 0.85 CTSS (0.56) CTSSCTSKCTSLGALR2GALR1
SCHEMBL13325957 0.84 CTSS (0.54) CTSSCTSKCTSLGALR2GALR1
SCHEMBL13359702 0.83 RAB9A (0.67) CTSSCTSKCTSLGALR2GALR1
SCHEMBL3290340 0.83 CTSL (0.57) CTSSCTSKCTSLGALR2GALR1
SCHEMBL3291713 0.82 GALR2 (0.67) CTSSCTSKCTSLGALR2GALR1
SCHEMBL3287809 0.81 CTSL (0.54) CTSSCTSKCTSLGALR2GALR1

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
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed