SCHEMBL4390837

SCHEMBL4390837

N=C(N)Nc1ccc(C(=O)Oc2ccc3ccccc3c2C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PLAU P00749 9/20 0.41
F2 P00734 7/20 0.40
PLG P00747 7/20 0.40
PRSS1 P07477 6/20 0.40
PLAT P00750 6/20 0.40
KLKB1 P03952 5/20 0.40
KLK1 P06870 1/20 0.40
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
F10 P00742 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL4384614 0.84 KMT2A (0.54) MEN1KMT2APLGKLK1ALDH1A1
SCHEMBL9302652 0.78 PLAU (0.48) KMT2APLAUF2PLGPRSS1
SCHEMBL7563090 0.77 FTO (0.48) NCEH1MEN1KMT2APLAUF2
SCHEMBL7563955 0.77 FTO (0.48) PLAUF2PLGPRSS1PLAT
SCHEMBL4005710 0.75 MAPT (0.53) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4104661 0.74 KMT2A (0.59) MEN1KMT2APLAUPRSS1ALDH1A1
SCHEMBL11668983 0.74 SLC6A3 (0.51) MEN1KMT2APLAUF2PLG
Hydrochloric Acid SCHEMBL7865524 0.74 MAPT (0.52) MEN1KMT2APRSS1KDM4EALDH1A1
SCHEMBL7320953 0.74 PLAU (0.45) MEN1KMT2APLAUF2PLG
SCHEMBL7321809 0.73 SLC6A3 (0.65) MEN1KMT2APRSS1KLK1ALDH1A1

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
EP-3129056-A1 TREATMENT FOR RESPIRATORY DISEASE Mucokinetica Ltd. (GB) 2017-02-15 EP claimed
WO-2015155515-A1 TREATMENT FOR RESPIRATORY DISEASE MUCOKINETICA LIMITED (GB) 2015-10-15 WO claimed
EP-2124926-A1 TREATMENT FOR RESPIRATORY DISEASE Mucokinetica Ltd. (GB) 2009-12-02 EP disclosed
WO-2008090366-A1 TREATMENT FOR RESPIRATORY DISEASE MUCOKINETICA LTD. (GB) 2008-07-31 WO disclosed