SCHEMBL21887871

SCHEMBL21887871

CC1Cn2nc(C(=O)O)cc2-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.43
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
CAMKK2 Q96RR4 1/20 0.38
KCNH2 Q12809 6/20 0.37
JAK2 O60674 2/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
JAK3 P52333 1/20 0.35
GRIA2 P42262 1/20 0.35
GRK6 P43250 1/20 0.35
RXRA P19793 3/20 0.35
NR1H3 Q13133 3/20 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
SCHEMBL21888599 0.84 NR1H2 (0.44) NR1H2PIK3CDPIK3CGKCNH2JAK2
SCHEMBL21887872 0.84 NR1H2 (0.39) NR1H2PIK3CDPIK3CGJAK2DPP4
SCHEMBL21887739 0.84 NR1H2 (0.53) NR1H2PIK3CDPIK3CGKCNH2JAK2
SCHEMBL21887769 0.71 NR1H2 (0.59) NR1H2RXRANR1H3
SCHEMBL16553537 0.69 NR1H2 (0.79) NR1H2PIK3CDPIK3CGKCNH2RXRA
SCHEMBL21887770 0.68 NR1H2 (0.39) NR1H2JAK2JAK3RXRANR1H3
SCHEMBL21888601 0.68 NR1H2 (0.42) NR1H2RXRANR1H3
SCHEMBL24572933 0.67 CAMKK2 (0.50) NR1H2CAMKK2KCNH2GRK6NR1H3
SCHEMBL2342732 0.65 CAMKK2 (0.59) CAMKK2RXRA
SCHEMBL29374737 0.65 CAMKK2 (0.59) CAMKK2RXRA

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
EP-3626712-A2 LIVER X RECEPTOR (LXR) MODULATORS Ellora Therapeutics, Inc. (US) 2020-03-25 EP disclosed