SCHEMBL5024100

SCHEMBL5024100

c1ccc(CCSc2nnc(-c3ccncc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 1.00
GSK3A P49840 5/20 0.76
MAPK1 P28482 4/20 0.76
HTT P42858 4/20 0.76
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
ALDH1A1 P00352 2/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
EGFR P00533 1/20 0.61
CCNB2 O95067 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNB3 Q8WWL7 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
NCOA1 Q15788 1/20 0.57

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
SCHEMBL16944469 0.87 GSK3B (0.78) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL5024067 0.87 GSK3B (1.00) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL16948584 0.84 GSK3B (0.74) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL16157175 0.83 GSK3B (0.71) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL16157157 0.81 GSK3B (0.89) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL14604409 0.80 GSK3B (1.00) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL14603763 0.80 GSK3B (0.80) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL16944477 0.78 GSK3B (0.85) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL17068796 0.78 GLA (0.72) GSK3BGSK3AMAPK1HTTNPC1
SCHEMBL17068768 0.78 GLA (0.64) GSK3BGSK3AMAPK1HTTNPC1

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
WO-2012065065-A9 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-10-11 WO disclosed
WO-2012065065-A1 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-05-18 WO disclosed