SCHEMBL14623322

SCHEMBL14623322

CCc1cccc(Cl)c1-n1nc(C(F)(F)F)c(Br)c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.52
NR1H3 Q13133 15/20 0.52
RXRA P19793 12/20 0.52
CNR1 P21554 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL3472563 0.93 NR1H2 (0.57) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL14623308 0.84 NR1H2 (0.46) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL3474288 0.83 NR1H2 (0.60) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL3472959 0.79 NR1H2 (0.57) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL27915620 0.77 RXRA (0.55) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL3475132 0.77 NR1H2 (0.72) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL3473105 0.77 NR1H2 (0.61) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL2259556 0.75 NR1H2 (0.62) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL3474026 0.74 NR1H2 (0.61) NR1H2NR1H3RXRACNR1LOXL2
SCHEMBL15641675 0.74 NR1H2 (0.51) NR1H2NR1H3RXRACNR1LOXL2

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