SCHEMBL6533996

SCHEMBL6533996

CCCCCNc1nc(Cl)c(N)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.43
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TLR8 Q9NR97 7/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9677765 0.71 NPC1 (0.53) MMP3CLK2GSK3AGSK3BCDK9
SCHEMBL6244087 0.70 KMT2A (0.54) CDK9TLR8KMT2ANPC1ALDH1A1
SCHEMBL8310210 0.69 ABL1 (0.36) MMP3CLK2GSK3AGSK3BCDK9
SCHEMBL7491690 0.69 ALDH1A1 (0.51) MMP3CLK2GSK3AGSK3BCDK9
SCHEMBL6232908 0.69 CDK5 (0.54) MMP3CLK2GSK3AGSK3BCDK9
SCHEMBL3507059 0.65 ALPL (0.42) MMP3CLK2GSK3AGSK3BCDK9
SCHEMBL7474240 0.65 TLR8 (0.48) TLR8KMT2ASMN1; SMN2KDM4ENPSR1
SCHEMBL4528378 0.65 NPC1 (0.61) KMT2ANPC1ALDH1A1MAPTSTAT1
SCHEMBL7488715 0.65 ALDH1A1 (0.46) MMP3CLK2GSK3AGSK3BCDK9
SCHEMBL11550029 0.65 GSK3B (0.40) MMP3CLK2GSK3AGSK3BCDK9

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
WO-2005014591-A1 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2005-02-17 WO disclosed