SCHEMBL21158909

SCHEMBL21158909

CCCNc1c(N)cc(C(N)=O)cc1OCC1COC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
TSHR P16473 1/20 0.36
STING1 Q86WV6 4/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PARP15 Q460N3 3/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP2 Q9UGN5 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
BPTF Q12830 1/20 0.32
CREBBP Q92793 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
SCHEMBL21158654 0.90 PARP15 (0.43) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21158729 0.89 TSHR (0.35) TSHRSTING1ALDH1A1SMN1; SMN2MEN1
SCHEMBL28548656 0.84 MAPT (0.42) IRAK4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21158643 0.84 STING1 (0.42) TSHRSTING1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21158926 0.83 SMN1; SMN2 (0.36) IRAK4TSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL29200485 0.82 IRAK4 (0.33) IRAK4STING1PDE4APDE4BPDE4C
SCHEMBL22121045 0.81 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28557043 0.80 CHEK2 (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL21158913 0.80 USP2 (0.33) TSHRALDH1A1SMN1; SMN2CREBBPPTGER4
SCHEMBL21158773 0.78 PDE4D (0.50) PDE4APDE4BPDE4CPDE4D

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