Sugi Predict

Sugi Predict / Compounds / SCHEMBL23966889

SCHEMBL23966889

SCHEMBL23966889

NC(=O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2c(c1=O)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 11/20 0.58
▸ EGLN1 Q9GZT9 1/20 0.37
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AKR1B1 P15121 3/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ PGK1 P00558 1/20 0.32

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
SCHEMBL23908751 0.93 S1PR2 (0.67) S1PR2EGLN1LMNAAKR1B1MAPT
SCHEMBL23914843 0.90 S1PR2 (0.54) S1PR2EGLN1LMNAMAPTTP53
SCHEMBL23915331 0.89 S1PR2 (0.55) S1PR2EGLN1AKR1B1MAPTTP53
SCHEMBL23908773 0.87 S1PR2 (0.58) S1PR2EGLN1LMNATP53
SCHEMBL23908777 0.84 S1PR2 (0.51) S1PR2EGLN1MAPTTP53
SCHEMBL23908798 0.83 S1PR2 (0.66) S1PR2EGLN1AKR1B1TP53
SCHEMBL23908754 0.81 S1PR2 (0.67) S1PR2AKR1B1
SCHEMBL23908873 0.81 S1PR2 (0.68) S1PR2AKR1B1MAPT
SCHEMBL23915327 0.80 S1PR2 (0.54) S1PR2EGLN1LMNAMAPTTP53
SCHEMBL23908727 0.79 S1PR2 (0.69) S1PR2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 — — EP disclosed