SCHEMBL8734134

SCHEMBL8734134

Cc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1.O=C(O)c1ccc(NC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.76
KCNK9 Q9NPC2 3/20 0.76
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
KCNH2 Q12809 1/20 0.62
POLB P06746 2/20 0.61
HPSE Q9Y251 1/20 0.60
RXFP1 Q9HBX9 1/20 0.58
TP53 P04637 2/20 0.58
HPGD P15428 1/20 0.57
THRB P10828 1/20 0.57
FFAR1 O14842 1/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 1/20 0.55
NR1H4 Q96RI1 2/20 0.55

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
SCHEMBL7822889 0.87 MEN1 (0.78) KCNK3KCNK9L3MBTL1KMT2AMEN1
SCHEMBL1811680 0.87 L3MBTL1 (0.82) KCNK3KCNK9L3MBTL1KMT2AMEN1
SCHEMBL2077842 0.87 KCNK3 (0.81) KCNK3KCNK9L3MBTL1KMT2AMEN1
SCHEMBL6802691 0.87 KMT2A (0.78) KCNK3KCNK9L3MBTL1KMT2AMEN1
SCHEMBL8734140 0.86 KCNK3 (0.73) KCNK3KCNK9L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL2106088 0.86 L3MBTL1 (0.80) KCNK3KCNK9L3MBTL1KMT2AMEN1
SCHEMBL12764067 0.86 KCNK3 (0.91) KCNK3KCNK9L3MBTL1KMT2AMEN1
SCHEMBL19156982 0.86 KCNK3 (0.91) KCNK3KCNK9L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL2105161 0.86 KCNK3 (0.79) KCNK3KCNK9L3MBTL1KMT2AMEN1
SCHEMBL8361568 0.81 KCNK3 (0.73) KCNK3KCNK9L3MBTL1KMT2AMEN1

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
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed