SCHEMBL4615359

SCHEMBL4615359

Cn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 4/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 5/20 0.43
HTT P42858 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL4615360 1.00 CA12 (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4615286 0.97 SMN1; SMN2 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4615288 0.97 SMN1; SMN2 (0.47) CA12CA1CA2CA9SMN1; SMN2
Hydrochloric Acid SCHEMBL4824857 0.95 SMN1; SMN2 (0.46) CA12CA1CA2CA9SMN1; SMN2
Hydrochloric Acid SCHEMBL4824849 0.95 SMN1; SMN2 (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4613808 0.85 MAPT (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4614830 0.83 CA12 (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4614089 0.83 CA12 (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4614091 0.83 CA12 (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL4614835 0.83 CA12 (0.45) CA12CA1CA2CA9SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed