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SCHEMBL14622609

SCHEMBL14622609

Cc1cc(-c2cccc(S(C)(=O)=O)c2)sc1C1=C(Cl)C(C(C)(C)O)NN1c1cccnc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.39
▸ NR1H3 Q13133 13/20 0.39
▸ RXRA P19793 10/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ SYK P43405 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ CYP2C9 P11712 1/20 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
SCHEMBL3470903 0.78 NR1H2 (0.44) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL3470923 0.77 NR1H2 (0.54) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL3472473 0.71 NR1H2 (0.55) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL14622606 0.70 NR1H2 (0.49) NR1H2NR1H3RXRA
SCHEMBL14623327 0.68 NR1H2 (0.45) NR1H2NR1H3RXRALOXL2CNR1
SCHEMBL3472604 0.68 NR1H2 (0.70) NR1H2NR1H3RXRALOXL2KCNH2
SCHEMBL15641675 0.67 NR1H2 (0.51) NR1H2NR1H3RXRALOXL2SYK
SCHEMBL3474363 0.67 NR1H2 (0.44) NR1H2NR1H3RXRASYKCYP2C9
SCHEMBL3470763 0.66 NR1H2 (0.44) NR1H2NR1H3RXRALOXL2PIK3CA
SCHEMBL3471513 0.66 NR1H2 (0.52) NR1H2NR1H3RXRACNR1PIK3CA

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-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed