SCHEMBL4766873

SCHEMBL4766873

O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.72
LMNA P02545 1/20 0.71
KAT6A Q92794 2/20 0.71
TLR7 Q9NYK1 4/20 0.69
CES2 O00748 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
P2RX1 P51575 1/20 0.62
ALDH1A1 P00352 3/20 0.62
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
GAA P10253 1/20 0.60
PTGS1 P23219 1/20 0.60
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL11396292 0.88 KAT6A (0.61) KCNK3LMNAKAT6ATLR7NPSR1
SCHEMBL30069240 0.87 LMNA (0.73) KCNK3LMNAKAT6ATLR7CES2
SCHEMBL6841053 0.85 KCNK3 (0.70) KCNK3LMNAKAT6ATLR7P2RX1
SCHEMBL28971351 0.85 TLR7 (0.63) KCNK3LMNAKAT6ATLR7CES2
SCHEMBL28020270 0.84 KCNK3 (0.65) KCNK3LMNAKAT6AP2RX1ALDH1A1
SCHEMBL18311316 0.84 KAT6A (1.00) KAT6AGAA
SCHEMBL30739929 0.83 LMNA (1.00) KCNK3LMNAP2RX1ALDH1A1GAA
SCHEMBL4517587 0.83 LMNA (1.00) KCNK3LMNAP2RX1ALDH1A1GAA
SCHEMBL6991713 0.83 LMNA (0.67) KCNK3LMNAKAT6ACES2NPSR1
SCHEMBL14527438 0.82 TLR7 (0.64) KCNK3LMNAKAT6ATLR7CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779078-A New inhibitor and probe of kinases and application thereof 北京大学深圳研究生院 2018-11-09 CN disclosed
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 WO disclosed