SCHEMBL21158643

SCHEMBL21158643

CCCNc1c(N)cc(C(N)=O)cc1OC1COC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.42
PDE4D Q08499 12/20 0.39
PDE4B Q07343 8/20 0.39
PDE4A P27815 7/20 0.39
PDE4C Q08493 7/20 0.39
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21158773 0.91 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL21158910 0.89 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL21158931 0.86 PDE4D (0.35) STING1PDE4DPDE4BPDE4APDE4C
SCHEMBL21158909 0.84 IRAK4 (0.38) STING1PDE4DPDE4BPDE4APDE4C
SCHEMBL28912725 0.84 MAPT (0.44) STING1PDE4DPDE4BPDE4APDE4C
SCHEMBL21158729 0.82 TSHR (0.35) STING1TSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL19437435 0.80 ALDH1A1 (0.46) PDE4DPDE4BPDE4APDE4CTSHR
SCHEMBL22121045 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21158654 0.78 PARP15 (0.43) PDE4DPDE4BPDE4APDE4CTSHR
SCHEMBL28552449 0.77 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed
WO-2019134707-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed