SCHEMBL28433205

SCHEMBL28433205

O=C(Nc1ccccc1)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.70
▸ RAB9A P51151 6/20 0.70
▸ NFKB1 P19838 2/20 0.70
▸ NFKB2 Q00653 2/20 0.70
▸ RELA Q04206 2/20 0.70
▸ POLB P06746 3/20 0.57
▸ CNR1 P21554 2/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ FAAH O00519 1/20 0.54
▸ PTPN1 P18031 1/20 0.53
▸ TMPRSS4 Q9NRS4 1/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
Quinoline SCHEMBL28309612 0.89 RAB9A (0.67) SMN1; SMN2RAB9ANFKB1NFKB2RELA
SCHEMBL28430157 0.86 RAB9A (0.51) SMN1; SMN2RAB9ANFKB1NFKB2RELA
SCHEMBL1131467 0.83 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANFKB1NFKB2RELA
SCHEMBL28310352 0.82 RAB9A (0.79) SMN1; SMN2RAB9ANFKB1NFKB2RELA
SCHEMBL28426782 0.80 GRIK1 (0.55) SMN1; SMN2RAB9ANFKB1NFKB2RELA
SCHEMBL740617 0.79 MGAM (0.56) SMN1; SMN2POLBCNR2ALDH1A1MAPT
SCHEMBL13201008 0.77 RAB9A (0.70) SMN1; SMN2RAB9ANFKB1NFKB2RELA
SCHEMBL26373245 0.77 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANFKB1NFKB2RELA
SCHEMBL5625543 0.74 GRM2 (0.47) CNR2FAAHPTPN1MAPT
SCHEMBL7862687 0.74 RAB9A (0.70) SMN1; SMN2RAB9ANFKB1NFKB2RELA

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
CN-110156683-B Synthesis method of quinoline oxide 青岛农业大学 2020-06-26 — — CN disclosed
Send feedback