SCHEMBL14635367

SCHEMBL14635367

COc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCC(CN)CC3)n2)cc1CI

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ BCL6 P41182 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GALR1 P47211 4/20 0.42
▸ GALR2 O43603 3/20 0.42
▸ CCR4 P51679 1/20 0.40
▸ ULK1 O75385 1/20 0.39
▸ ULK2 Q8IYT8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL14421446 0.88 CTSS (0.48) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL14537238 0.88 SMN1; SMN2 (0.57) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL14533513 0.87 CTSS (0.50) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL14533521 0.87 RAB9A (0.58) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL14635155 0.87 GALR1 (0.45) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL5550961 0.86 BCL6 (0.58) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL5556198 0.86 GALR1 (0.53) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL14613060 0.86 CTSS (0.50) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL14472384 0.83 SMN1; SMN2 (0.48) CTSSCTSKCTSLSMN1; SMN2MAPT
SCHEMBL14421535 0.83 RAB9A (0.50) CTSSCTSKCTSLSMN1; SMN2MAPT

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-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 — — US disclosed
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