SCHEMBL23716140

SCHEMBL23716140

CCc1ccc(C(NNOc2ccc(CC)c(Cl)c2)/C(N)=C/C=C(\C)Br)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
NLRP1 Q9C000 1/20 0.31
PRSS1 P07477 3/20 0.31
PRSS2 P07478 3/20 0.31
PRSS3 P35030 3/20 0.31

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
SCHEMBL23716062 0.80 SIGMAR1 (0.31)
SCHEMBL23716306 0.74 S1PR3 (0.56) S1PR3
SCHEMBL23716127 0.72 OGG1 (0.35) S1PR3
SCHEMBL23716085 0.65 S1PR3 (0.65) S1PR3
SCHEMBL23716119 0.65 S1PR3 (0.44) S1PR3
SCHEMBL23716330 0.64 MDM2 (0.38) S1PR3LMNA
SCHEMBL5446367 0.61 GAA (0.40) LMNAMAPK1NLRP1PRSS1PRSS2
SCHEMBL23716437 0.58 S1PR3 (0.37) S1PR3LMNA
SCHEMBL2602714 0.57 LMNA (0.46) LMNAMAPK1NLRP1
SCHEMBL23716193 0.57 OGG1 (0.44) LMNA

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