SCHEMBL25596377

SCHEMBL25596377

CCCOc1ccc(-c2nc(-c3ccc4oc(C(N)(CN=O)CN=O)cc4c3)no2)cc1Cl

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.82
S1PR3 Q99500 3/20 0.59
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCD Q05655 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL177513 0.90 S1PR1 (1.00) S1PR1S1PR3BCHEACHEMAP4K4
SCHEMBL29410964 0.90 S1PR1 (1.00) S1PR1S1PR3BCHEACHEMAP4K4
SCHEMBL26004417 0.88 S1PR1 (0.95) S1PR1S1PR3BCHEACHEMAP4K4
SCHEMBL15662160 0.86 S1PR1 (0.91) S1PR1S1PR3BCHEACHEMAP4K4
SCHEMBL15662886 0.84 S1PR1 (0.88) S1PR1S1PR3BCHEACHEMAP4K4
SCHEMBL15703942 0.83 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL9996208 0.83 S1PR1 (0.86) S1PR1S1PR3SMN1; SMN2
SCHEMBL15662515 0.81 S1PR1 (0.82) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL177230 0.80 S1PR1 (0.82) S1PR1S1PR3SMN1; SMN2
SCHEMBL15661823 0.80 S1PR1 (0.82) S1PR1S1PR3MAP4K4PRKCDMINK1

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-3723801-B1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR BIORA THERAPEUTICS INC (US) 2023-06-07 EP disclosed