SCHEMBL9636075

SCHEMBL9636075

CCOC(=O)C[S+]([O-])c1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 2/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIRT2 Q8IXJ6 2/20 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
SCHEMBL9635744 0.90 KDM4E (0.40) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9634355 0.88 PKN1 (0.46) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9634580 0.86 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL9635757 0.83 KDM4E (0.42) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9635629 0.82 PDE5A (0.44) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9636465 0.81 KDM4E (0.42) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9636242 0.80 KDM4E (0.41) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9634603 0.79 KDM4E (0.40) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9634891 0.79 PDE3B (0.48) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL9634638 0.78 ALDH1A1 (0.54) PKN1PKN2ALDH1A1KDM4EMAPT

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