SCHEMBL9636036

SCHEMBL9636036

CSc1ccc(-c2nc3cnccc3[nH]2)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE5A O76074 3/20 0.38
TEK Q02763 2/20 0.38
DAO P14920 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
PRSS1 P07477 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
JMJD6 Q6NYC1 1/20 0.35
F7 P08709 1/20 0.35

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 SCHEMBL10847852 0.99 PDE5A (0.39) AMY1AKDM4ENPSR1PDE5ATEK
SCHEMBL7272073 0.87 KDM4E (0.39) KDM4ENPSR1PDE5ATEKPDE3B
SCHEMBL7277893 0.86 AMY1A (0.41) AMY1AKDM4ENPSR1PDE5ATEK
SCHEMBL10738992 0.84 AMY1A (0.41) AMY1AKDM4ENPSR1PDE5AF2
SCHEMBL7271721 0.84 PDE5A (0.53) AMY1AKDM4EPDE5ATEKPDE3B
SCHEMBL7279639 0.83 ALDH1A1 (0.40) AMY1AKDM4ENPSR1PDE5AF10
Hydrochloric Acid SCHEMBL7277930 0.83 PDE5A (0.53) AMY1AKDM4EPDE5ATEKPDE3B
Hydrochloric Acid SCHEMBL9838283 0.83 PDE5A (0.53) AMY1AKDM4EPDE5ATEKPDE3B
SCHEMBL10987994 0.83 TEK (0.37) KDM4ENPSR1PDE5ATEKPDE3B
SCHEMBL7281864 0.82 AMY1A (0.57) AMY1AKDM4ENPSR1PDE5ADAO

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