SCHEMBL5960348

SCHEMBL5960348

O=C(n1ccnc1)n1ccnc1.O=[N+]([O-])c1cccc(-c2nnc(O)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL4963929 0.87 GSK3B (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2837185 0.84 RAB9A (0.73) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10245542 0.71 NPC1 (1.00) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3612124 0.70 NPC1 (0.72) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17916200 0.70 CES2 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBLMNA
SCHEMBL3825069 0.69 NPC1 (0.66) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12798159 0.69 NPC1 (0.74) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17226737 0.69 RAB9A (0.77) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4607599 0.69 RAB9A (0.73) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28372775 0.69 NPC1 (0.73) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO disclosed