SCHEMBL8734140

SCHEMBL8734140

Cc1cccc(C(=O)Nc2cccc(C(=O)OC(=O)c3ccc(NC(=O)c4cccc(F)c4)cc3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.73
KCNK9 Q9NPC2 4/20 0.73
GPR17 Q13304 1/20 0.60
KCNH2 Q12809 1/20 0.59
MAPT P10636 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KDM4E B2RXH2 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8734134 0.86 KCNK3 (0.76) KCNK3KCNK9KCNH2MAPTMEN1
SCHEMBL19156982 0.84 KCNK3 (0.91) KCNK3KCNK9KCNH2MAPTCYP1A2
SCHEMBL12764067 0.84 KCNK3 (0.91) KCNK3KCNK9KCNH2MAPTMEN1
SCHEMBL1816127 0.81 MEN1 (0.84) KCNK3KCNK9GPR17MAPTMEN1
SCHEMBL4241893 0.81 KMT2A (0.79) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL4610855 0.80 MEN1 (0.72) KCNK3KCNK9GPR17KCNH2MAPT
SCHEMBL30739887 0.79 MEN1 (0.78) KCNK3KCNK9KCNH2MAPTCYP1A2
SCHEMBL10269450 0.79 MEN1 (0.78) KCNK3KCNK9KCNH2MAPTCYP1A2
SCHEMBL8361568 0.79 KCNK3 (0.73) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL31556825 0.79 KCNK3 (0.73) KCNK3KCNK9MAPTMEN1KMT2A

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