SCHEMBL23716119

SCHEMBL23716119

C/C(C#N)=C\C=C(/N)C(NNOc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 19/20 0.44
S1PR1 P21453 12/20 0.36
S1PR2 O95136 2/20 0.35
S1PR4 O95977 1/20 0.35
AR P10275 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
SCHEMBL23716130 0.91 S1PR3 (0.45) S1PR3S1PR1S1PR2S1PR4AR
SCHEMBL23716081 0.85 S1PR3 (0.41) S1PR3S1PR1S1PR2S1PR4AR
SCHEMBL23716085 0.83 S1PR3 (0.65) S1PR3S1PR1S1PR2S1PR4AR
SCHEMBL23716306 0.81 S1PR3 (0.56) S1PR3S1PR1S1PR2S1PR4AR
SCHEMBL23715934 0.69 S1PR3 (0.61) S1PR3S1PR1S1PR2
SCHEMBL23715840 0.69 S1PR3 (0.61) S1PR3S1PR1S1PR2S1PR4
SCHEMBL23716403 0.69 S1PR3 (0.61) S1PR3S1PR1S1PR2S1PR4
SCHEMBL21424569 0.67 S1PR3 (0.59) S1PR3S1PR1S1PR2S1PR4
SCHEMBL23716245 0.65 AR (0.40) S1PR3AR
SCHEMBL23716330 0.64 MDM2 (0.38) S1PR3S1PR1S1PR4

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed