SCHEMBL5287342

SCHEMBL5287342

CC(C)=NN=c1sc2cc3ccccc3cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.46
MAPT P10636 10/20 0.46
NPC1 O15118 10/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
KCNQ3 O43525 1/20 0.34

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
SCHEMBL5287339 1.00 RAB9A (0.46) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5278396 0.81 MAPT (0.64) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL29774515 0.81 MAPT (0.64) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5278390 0.81 MAPT (0.64) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL4614600 0.78 MAPT (0.41) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL4614598 0.78 MAPT (0.41) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL5280552 0.78 MAPT (0.44) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5281276 0.78 RAB9A (0.56) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5281281 0.78 RAB9A (0.56) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL5280550 0.78 MAPT (0.44) RAB9AMAPTNPC1SMN1; SMN2HTT

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-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP disclosed
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed