SCHEMBL45808

SCHEMBL45808

NC(=O)c1ccnc(Cc2ccccc2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PLA2G10 O15496 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ CDC7 O00311 2/20 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
▸ LIMK1 P53667 1/20 0.38
▸ GPR52 Q9Y2T5 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ NR3C2 P08235 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ASPH Q12797 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
SCHEMBL28295798 0.80 PLA2G2A (0.45) L3MBTL1PLA2G10PLA2G2ACDC7RPS6KB1
SCHEMBL22717306 0.80 PLA2G2A (0.45) L3MBTL1PLA2G10PLA2G2ACDC7RPS6KB1
SCHEMBL45809 0.78 HTT (0.45) L3MBTL1PLA2G10PLA2G2ACDC7RPS6KB1
SCHEMBL2306128 0.76 SYK (0.48) PLA2G10PLA2G2ACDC7RPS6KB1HTT
Hydrochloric Acid SCHEMBL11508163 0.74 SYK (0.46) PLA2G10PLA2G2ACDC7RPS6KB1HTT
SCHEMBL30238408 0.72 L3MBTL1 (0.46) L3MBTL1RPS6KB1AURKAAURKBHTT
SCHEMBL3462235 0.72 PLA2G10 (0.50) PLA2G10PLA2G2ACDC7HSD17B10NR3C2
SCHEMBL19197791 0.72 KDM4C (0.49) KDM5AKDM4CKDM5BKDM4ANR3C2
SCHEMBL4974179 0.71 L3MBTL1 (0.41) L3MBTL1CDC7RPS6KB1AURKAAURKB
SCHEMBL23212134 0.70 PARP1 (0.42) L3MBTL1PLA2G10PLA2G2ACDC7LIMK1

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
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