SCHEMBL5708561

SCHEMBL5708561

CCOc1ccc(-c2cs/c(=N\N)n2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.40
NQO1 P15559 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL4613931 1.00 MAPT (0.50) MAPTSMN1; SMN2CRHBPCRHR2NPSR1
SCHEMBL4615109 0.84 MAPT (0.51) MAPTSMN1; SMN2CRHBPCRHR2NPSR1
SCHEMBL5287377 0.81 SMN1; SMN2 (0.49) MAPTSMN1; SMN2CRHBPCRHR2NPSR1
SCHEMBL4613808 0.79 MAPT (0.46) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4614621 0.78 MAPT (0.50) MAPTSMN1; SMN2CRHBPCRHR2NPSR1
SCHEMBL4614830 0.77 CA12 (0.45) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4614835 0.77 CA12 (0.45) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL4615359 0.77 CA12 (0.45) MAPTSMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL4615286 0.77 SMN1; SMN2 (0.47) MAPTSMN1; SMN2CRHBPCRHR2L3MBTL1
Hydrochloric Acid SCHEMBL4824857 0.75 SMN1; SMN2 (0.46) MAPTSMN1; SMN2CRHBPCRHR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed