SCHEMBL9634355

SCHEMBL9634355

CCOC(=O)C[S+]([O-])c1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SIRT2 Q8IXJ6 4/20 0.41
SIRT1 Q96EB6 3/20 0.41
SIRT3 Q9NTG7 1/20 0.41
HPSE Q9Y251 1/20 0.40
ALOX5 P09917 1/20 0.38
DGAT1 O75907 1/20 0.38
MMP13 P45452 1/20 0.37
PARP1 P09874 1/20 0.37
AURKA O14965 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9636544 0.89 HPSE (0.44) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9636075 0.88 PKN1 (0.43) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9634362 0.85 HPSE (0.44) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9635629 0.84 PDE5A (0.44) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9634311 0.82 AURKA (0.45) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9636242 0.82 KDM4E (0.41) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9634404 0.80 AURKA (0.43) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9634810 0.80 ADORA2A (0.51) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9636251 0.79 KDM4E (0.58) PKN1PKN2ALDH1A1KDM4ENPC1
SCHEMBL9635662 0.78 ALDH1A1 (0.46) PKN1PKN2ALDH1A1KDM4ENPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed