SCHEMBL19430587

SCHEMBL19430587

CC/C=C\C(C)c1nc(-c2ccc(OCCCCCCCC)c(C(F)(F)F)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 3/20 0.52
▸ S1PR1 P21453 16/20 0.44
▸ S1PR4 O95977 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41

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
SCHEMBL19430707 0.85 SPHK2 (0.53) SPHK2S1PR1S1PR4S1PR5
SCHEMBL19430684 0.82 SPHK2 (0.51) SPHK2S1PR1S1PR4S1PR5
SCHEMBL13139484 0.80 S1PR1 (0.60) SPHK2S1PR1
SCHEMBL19430732 0.78 SPHK2 (0.56) SPHK2S1PR1
SCHEMBL19430772 0.78 SPHK2 (0.58) SPHK2S1PR1
SCHEMBL17666215 0.75 SPHK2 (0.42) SPHK2S1PR1
SCHEMBL27775311 0.75 SPHK2 (0.55) SPHK2S1PR1S1PR4S1PR5
SCHEMBL2952610 0.74 SPHK2 (0.56) SPHK2S1PR1S1PR4S1PR5
SCHEMBL2952609 0.74 SPHK2 (0.56) SPHK2S1PR1S1PR4S1PR5
Hydrochloric Acid SCHEMBL26691090 0.74 SPHK2 (0.55) SPHK2S1PR1

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
WO-2017172989-A1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS THORPE STEVEN BRANDON (US) 2017-10-05 — — WO disclosed
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