SCHEMBL45809

SCHEMBL45809

NC(=O)c1ccnc(C(F)(F)F)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PLA2G10 O15496 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ CDC7 O00311 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ RPS6KB1 P23443 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM5B Q9UGL1 2/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GPR52 Q9Y2T5 2/20 0.37
▸ ATF1 P18846 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ BTK Q06187 2/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL27459331 0.80 HTT (0.42) HTTHSD17B10PLA2G10PLA2G2ALIMK1
SCHEMBL45808 0.78 L3MBTL1 (0.41) HTTHSD17B10L3MBTL1PLA2G10PLA2G2A
SCHEMBL28681774 0.75 PLA2G2A (0.57) HSD17B10L3MBTL1PLA2G10PLA2G2ACDC7
SCHEMBL1720768 0.72 L3MBTL1 (0.46) HTTHSD17B10L3MBTL1KDM4ECD38
SCHEMBL30238408 0.72 L3MBTL1 (0.46) HTTHSD17B10L3MBTL1RPS6KB1AURKA
SCHEMBL25251294 0.72 L3MBTL1 (0.46) HTTHSD17B10L3MBTL1CDC7RPS6KB1
SCHEMBL3957624 0.71 HTT (0.50) HTTHSD17B10KDM4EGPR52NR3C2
SCHEMBL17981949 0.71 L3MBTL1 (0.44) HTTHSD17B10L3MBTL1LIMK1KDM4E
SCHEMBL22717306 0.71 PLA2G2A (0.45) HSD17B10L3MBTL1PLA2G10PLA2G2ACDC7
SCHEMBL28295798 0.71 PLA2G2A (0.45) HSD17B10L3MBTL1PLA2G10PLA2G2ACDC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 — — EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 — — EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 — — WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 — — WO disclosed
Send feedback