SCHEMBL29965740

SCHEMBL29965740

O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 1/20 0.59
MAPT P10636 11/20 0.58
SMN1; SMN2 Q16637 4/20 0.52
NPY1R P25929 1/20 0.52
RECQL P46063 1/20 0.52
NPY2R P49146 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.48
GPR55 Q9Y2T6 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL28581710 1.00 MOK (0.59) MOKMAPTSMN1; SMN2NPY1RRECQL
SCHEMBL19475271 0.76 MOK (0.84) MOKMAPTKDM4EALDH1A1GPR55
SCHEMBL19475531 0.74 MOK (1.00) MOKMAPTKDM4EALDH1A1MEN1
SCHEMBL30457868 0.73 KDM4E (0.54) MOKMAPTKDM4EALDH1A1MEN1
SCHEMBL29014005 0.73 KDM4E (0.54) MOKMAPTKDM4EALDH1A1MEN1
SCHEMBL19475310 0.70 MOK (0.77) MOKMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL28609409 0.70 MTOR (0.72) PIK3CAMTORPIK3CG
SCHEMBL14470414 0.68 RAB9A (0.70) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL19667014 0.67 GBA1 (0.57) MAPTSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL13253435 0.67 NPSR1 (0.72) MOKMAPTSMN1; SMN2NPY1RRECQL

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-113082036-B Dual inhibitor targeting JAK/STAT and NF kappa B signal pathways and application thereof 中国海洋大学 2022-11-01 CN claimed
CN-113082036-B Dual inhibitor targeting JAK/STAT and NF kappa B signal pathways and application thereof 中国海洋大学 2022-11-01 CN disclosed