SCHEMBL21591565

SCHEMBL21591565

Cc1cc(=O)c2cc(F)c(F)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
CYP1A2 P05177 4/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAOB P27338 1/20 0.38
NQO1 P15559 1/20 0.38
CYP1A1 P04798 4/20 0.36

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
SCHEMBL21591469 0.85 ACHE (0.41) ACHEPTGS1PTGS2CYP1A2GAA
SCHEMBL31217580 0.77 MAOB (0.62) ACHECYP1A2GAAALOX15KDM4E
SCHEMBL266461 0.77 GABRP (0.60) ACHECYP1A2GAAALOX15KDM4E
SCHEMBL9432919 0.76 AHR (0.52) ACHEPTGS1PTGS2CYP1A2GAA
SCHEMBL15663163 0.76 ALOX15 (0.61) ACHEPTGS1PTGS2CYP1A2GAA
SCHEMBL31217562 0.73 ACHE (0.58) ACHEPTGS2CYP1A2GAAALOX15
SCHEMBL25818860 0.73 KDM4E (0.50) ACHEPTGS1PTGS2CYP1A2GAA
2,7-Dimethylchromone SCHEMBL7600130 0.72 ALDH1A1 (0.64) ACHECYP1A2GAAALOX15KDM4E
SCHEMBL266614 0.72 MAPT (0.63) ACHEKDM4ETP53MAPTHSD17B10
SCHEMBL6331783 0.72 AKR1B1 (0.58) PTGS1KDM4EMAPTHSD17B10LMNA

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
EP-3807264-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-04-21 EP disclosed
WO-2019238786-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2019-12-19 WO disclosed