SCHEMBL22280463

SCHEMBL22280463

FC(F)(F)c1ccc(COc2ccc(-c3noc(C4CNC4)n3)cc2C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 11/20 0.62
SPHK1 Q9NYA1 6/20 0.62
S1PR1 P21453 7/20 0.46
SLC6A4 P31645 1/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43

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
Hydrochloric Acid SCHEMBL29523175 0.99 SPHK2 (0.62) SPHK2SPHK1S1PR1SLC6A4
SCHEMBL22280450 0.91 SPHK2 (0.61) SPHK2SPHK1S1PR1
Hydrochloric Acid SCHEMBL22265566 0.90 SPHK2 (0.62) SPHK2SPHK1S1PR1
Hydrochloric Acid SCHEMBL22265569 0.90 SPHK2 (0.62) SPHK2SPHK1S1PR1
SCHEMBL22280545 0.84 SPHK2 (0.64) SPHK2SPHK1S1PR1
SCHEMBL19430384 0.83 SPHK2 (0.63) SPHK2SPHK1S1PR1
Hydrochloric Acid SCHEMBL22265463 0.82 SPHK2 (0.75) SPHK2SPHK1S1PR1
SCHEMBL22280512 0.82 SPHK2 (0.70) SPHK2SPHK1S1PR1
SCHEMBL22280306 0.81 S1PR1 (0.53) SPHK2S1PR1
SCHEMBL22280631 0.81 S1PR1 (0.46) SPHK2SPHK1S1PR1

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed