SCHEMBL23966815

SCHEMBL23966815

CCOC(=O)Cn1nc(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.63
RHEB Q15382 3/20 0.38
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL23966818 0.92 S1PR2 (0.65) S1PR2RHEBCYP3A4CYP2C9
SCHEMBL23908839 0.91 S1PR2 (0.75) S1PR2RHEB
SCHEMBL23914704 0.90 S1PR2 (0.62) S1PR2RHEBCCNE2CCNE1CDK2
SCHEMBL23966844 0.85 S1PR2 (0.70) S1PR2RHEBCYP1A2CYP3A4CYP2C9
SCHEMBL23908779 0.85 S1PR2 (0.65) S1PR2RHEBMEN1KMT2AMAPT
SCHEMBL23966848 0.78 S1PR2 (0.72) S1PR2RHEB
SCHEMBL23966530 0.77 S1PR2 (0.82) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23966542 0.75 S1PR2 (0.82) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23966552 0.75 S1PR2 (0.84) S1PR2RHEB
SCHEMBL23908887 0.74 S1PR2 (0.94) 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