SCHEMBL9635868

SCHEMBL9635868

C[S+]([O-])c1cc(O)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.40
GAA P10253 3/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
PDE5A O76074 4/20 0.38
CDK4 P11802 3/20 0.38
CCNA2 P20248 3/20 0.38
CCND1 P24385 3/20 0.38
CDK2 P24941 3/20 0.38
CCND3 P30281 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CBFB Q13951 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9634671 0.86 PDE5A (0.39) PDE5APDE3BPDE3AKDM4ENPC1
SCHEMBL10740634 0.85 AMY1A (0.41) AMY1AGAAMGAMSIMGAM2
SCHEMBL9635768 0.83 PDE5A (0.44) AMY1AGAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL10847534 0.82 PDE5A (0.46) AMY1AGAAMGAMSIMGAM2
SCHEMBL7270724 0.82 PDE5A (0.50) GAAPDE5ACDK2KDM4ENPC1
SCHEMBL7281864 0.82 AMY1A (0.57) AMY1AGAAMGAMSIMGAM2
SCHEMBL9634788 0.81 AMY1A (0.38) AMY1AGAAMGAMSIMGAM2
SCHEMBL9634765 0.81 CBFB (0.42) PDE5APDE3BPDE3ACBFBKDM4E
SCHEMBL7282149 0.80 CDK4 (0.56) AMY1APDE5ACDK4CCNA2CCND1
SCHEMBL9636054 0.78 CDK4 (0.48) AMY1AGAAMGAMSIMGAM2

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