SCHEMBL23788017

SCHEMBL23788017

O=C1Cc2cc(P)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.61
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
PDK2 Q15119 1/20 0.53
EPHX2 P34913 1/20 0.51
PGR P06401 4/20 0.50
GRIA1 P42261 2/20 0.50
CACNG8 Q8WXS5 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CMA1 P23946 2/20 0.47
GAA P10253 1/20 0.46
EIF2AK2 P19525 1/20 0.46
MAOB P27338 3/20 0.44
KIF11 P52732 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL2468488 0.80 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL1044390 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL12427789 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL154614 0.76 AHR (1.00) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL152963 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL433708 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL19391 0.76 AHR (0.67) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL5535534 0.76 AHR (0.61) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL1459491 0.76 TDP2 (0.62) AHRPDE3BPDE3APDK2EPHX2
SCHEMBL6431 0.76 AHR (0.72) AHRPDE3BPDE3APDK2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3441389-B1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2021-09-08 EP disclosed