SCHEMBL23966866

SCHEMBL23966866

C=C1c2ccccc2C(Cn2cc3c(Cl)c(OCC)ccc3n2)=NN1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 4/20 0.42
PDE4D Q08499 3/20 0.34
PDE4B Q07343 2/20 0.34
CREBBP Q92793 1/20 0.33
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23909047 0.75 S1PR2 (0.71) S1PR2L3MBTL1
SCHEMBL23908849 0.61 S1PR2 (0.70) S1PR2L3MBTL1
SCHEMBL21631643 0.59 EPHX2 (0.44) S1PR2PDE4DPDE4B
SCHEMBL23908853 0.59 S1PR2 (1.00) S1PR2L3MBTL1
SCHEMBL23908877 0.59 S1PR2 (1.00) S1PR2L3MBTL1
SCHEMBL23208619 0.57 UCHL1 (0.32) S1PR2PDE4DPDE4B
SCHEMBL24879334 0.55 ADORA3 (0.42) L3MBTL1
SCHEMBL19207534 0.54 ALDH1A1 (0.59) POLB
SCHEMBL5505741 0.54 PDE4A (0.53) PDE4DPDE4BKMT2APDE4APDE4C
SCHEMBL28235173 0.54 CREBBP (0.43) CREBBPPOLBKMT2AL3MBTL1

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