SCHEMBL23966848

SCHEMBL23966848

COC(=O)Cn1nc(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2cc(Br)ccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.72
NLRP3 Q96P20 1/20 0.37
RHEB Q15382 2/20 0.36
CASP3 P42574 1/20 0.36
PTGES O14684 1/20 0.36
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 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
SCHEMBL23966844 0.93 S1PR2 (0.70) S1PR2NLRP3RHEB
SCHEMBL23966552 0.92 S1PR2 (0.84) S1PR2NLRP3RHEBTSHR
SCHEMBL23908918 0.92 S1PR2 (0.69) S1PR2NLRP3RHEBPTGES
SCHEMBL23914869 0.86 S1PR2 (0.72) S1PR2RHEBTP53
SCHEMBL23966818 0.85 S1PR2 (0.65) S1PR2RHEBEGFRTP53
SCHEMBL23914868 0.81 S1PR2 (0.66) S1PR2NLRP3TSHR
SCHEMBL23914638 0.81 S1PR2 (0.80) S1PR2RHEBTSHR
SCHEMBL23966531 0.81 S1PR2 (0.87) S1PR2TP53TSHRPOLB
SCHEMBL23914694 0.81 S1PR2 (0.76) S1PR2TP53TSHRPOLB
SCHEMBL23908887 0.80 S1PR2 (0.94) S1PR2TSHR

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