SCHEMBL14623604

SCHEMBL14623604

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)NC(CO)CN=O)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.68
NR1H2 P55055 7/20 0.68
NR1H3 Q13133 7/20 0.68
DYRK3 O43781 3/20 0.38
DYRK1A Q13627 3/20 0.38
DYRK2 Q92630 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CNR1 P21554 2/20 0.38
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
FPR1 P21462 1/20 0.35
PTGS2 P35354 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL3474331 0.95 RXRA (0.73) RXRANR1H2NR1H3DYRK3DYRK1A
SCHEMBL3474953 0.89 RXRA (0.72) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3471679 0.89 NR1H2 (0.72) RXRANR1H2NR1H3DYRK3DYRK1A
SCHEMBL3471372 0.86 NR1H2 (0.69) RXRANR1H2NR1H3DYRK3DYRK1A
SCHEMBL3472840 0.86 NR1H2 (0.69) RXRANR1H2NR1H3DYRK3DYRK1A
SCHEMBL14624827 0.85 RXRA (0.75) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL14623269 0.85 RXRA (0.80) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3472973 0.84 NR1H2 (0.77) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3470791 0.83 RXRA (0.73) RXRANR1H2NR1H3CNR1SLC16A3
SCHEMBL3474122 0.83 RXRA (0.73) RXRANR1H2NR1H3CNR1SLC16A3

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