SCHEMBL28544908

SCHEMBL28544908

O=S(=O)(Oc1ccnc2cc(O)ccc12)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.47
TLR8 Q9NR97 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SYK P43405 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MET P08581 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33
RIPK2 O43353 2/20 0.33

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
SCHEMBL19643620 0.83 GAK (0.44) ESR2KDRMAPK14
SCHEMBL8501623 0.83 SMN1; SMN2 (0.50) LMNASMN1; SMN2ALDH1A1CASP1KMT2A
SCHEMBL4490029 0.83 SLC22A12 (0.47) ESR2LMNASMN1; SMN2SYKSLC22A12
SCHEMBL3551410 0.81 HTR1A (0.46) LMNASYKMETRIPK2KDR
SCHEMBL3576735 0.80 KDR (0.40) ESR2SMN1; SMN2ESR1MAPTSLC22A12
SCHEMBL14999154 0.79 SRC (0.39) ESR2SMN1; SMN2SLC22A12
SCHEMBL371799 0.78 PDGFRB (0.51) MET
SCHEMBL29397704 0.77 PTGS1 (0.36) ESR2SLC22A12CA1CA2
SCHEMBL28721905 0.77 PTGS1 (0.36) ESR2SLC22A12CA1CA2
SCHEMBL591544 0.76 IDO1 (0.45) SLC22A12

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-112500341-B Synthesis method of 7-hydroxyquinoline-4-carboxylic acid 苏州康润医药有限公司 2022-04-12 CN disclosed
CN-112500341-A Synthesis method of 7-hydroxyquinoline-4-carboxylic acid 苏州康润医药有限公司 2021-03-16 CN disclosed