SCHEMBL10285203

SCHEMBL10285203

c1ccc(Nc2n[nH]cc2-c2nc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.58
ILK Q13418 5/20 0.51
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
KDM4E B2RXH2 5/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
EGFR P00533 6/20 0.45
IGF1R P08069 4/20 0.45
TEK Q02763 4/20 0.45

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
SCHEMBL687314 0.83 ILK (0.56) ILKMAPTMEN1KMT2ANPC1
SCHEMBL686882 0.80 ILK (0.45) GSK3BILKMAPTMEN1KMT2A
SCHEMBL715973 0.77 ILK (0.54) ILKMAPTMEN1KMT2ANPC1
SCHEMBL687108 0.77 KDM4E (0.61) ILKMAPTMEN1KMT2ANPC1
SCHEMBL24155566 0.76 MAPT (0.57) GSK3BMAPTMEN1KMT2ANPC1
SCHEMBL687432 0.76 ILK (0.56) ILKMAPTMEN1KMT2ANPC1
SCHEMBL687313 0.72 ILK (0.56) ILKMAPTMEN1KMT2ANPC1
SCHEMBL14195557 0.72 APP (0.71) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL686607 0.72 ILK (0.42) ILKMAPTMEN1KMT2ANPC1
SCHEMBL6644807 0.70 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A

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
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed