SCHEMBL22471946

SCHEMBL22471946

O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12.[Ar]

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.72
LCLAT1 Q6UWP7 5/20 0.54
LMNA P02545 4/20 0.52
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HCRTR1 O43613 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
ADCY8 P40145 1/20 0.45
ADCY1 Q08828 1/20 0.45

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
SCHEMBL1899883 0.99 STAT3 (0.73) STAT3LCLAT1LMNAKDM4EMEN1
SCHEMBL1900802 0.90 STAT3 (0.70) STAT3LMNAKDM4EMEN1HTT
SCHEMBL1901062 0.88 STAT3 (0.77) STAT3LCLAT1LMNAKDM4EMEN1
SCHEMBL1898078 0.87 STAT3 (0.74) STAT3LMNAKDM4EMEN1HTT
SCHEMBL1901042 0.86 STAT3 (0.73) STAT3LCLAT1LMNAKDM4EMEN1
SCHEMBL1898201 0.85 STAT3 (0.81) STAT3LCLAT1LMNAKDM4EMEN1
SCHEMBL1899737 0.85 STAT3 (0.72) STAT3LMNAKDM4EMEN1HTT
SCHEMBL1905449 0.85 STAT3 (0.84) STAT3LMNAKDM4EMEN1HTT
SCHEMBL1899842 0.85 STAT3 (0.63) STAT3LMNAKDM4EMEN1HTT
SCHEMBL1906040 0.85 STAT3 (0.73) STAT3LMNAKDM4EMEN1HTT

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
WO-2020196327-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF 株式会社ヤクルト本社 2020-10-01 WO disclosed