SCHEMBL7093370

SCHEMBL7093370

FC(F)(F)c1ccc(C2=Cc3ncccc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
TOP1 P11387 3/20 0.40
NPY5R Q15761 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NPC1 O15118 1/20 0.38
NISCH Q9Y2I1 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
SCN2A Q99250 2/20 0.36
SLC6A7 Q99884 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
AKT1 P31749 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL7093389 0.87 CYP11B1 (0.34) KIF11TOP1NPY5RPDCD1CD274
SCHEMBL7090601 0.85 KMT2A (0.44) KIF11NISCHTRPV1AKT1CYP11B1
SCHEMBL7094267 0.83 CYP11B1 (0.37) TOP1NPC1BCHEACHEBACE1
SCHEMBL7094263 0.81 CYP11B1 (0.45) NPC1NISCHSLC6A7CYP11B1CYP11B2
SCHEMBL7095208 0.80 CYP11B1 (0.47) NPC1CYP11B1CYP11B2
SCHEMBL7096288 0.80 CYP11B1 (0.37) NPY5RPDCD1CD274NPC1BCHE
SCHEMBL7093600 0.80 CYP11B1 (0.41) CD274NPC1NISCHACHEBACE1
SCHEMBL7090626 0.78 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL7094835 0.76 CLK4 (0.49) PDCD1CD274NPC1ACHECYP11B1
SCHEMBL6285696 0.74 CYP11B1 (0.49) KIF11NISCHBACE1SCN2ACYP11B1

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-0910560-B1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-09-17 EP disclosed
US-6271411-B1 REACTING AN INDENE WITH AN ARENE COMPOUND SUBSTITUTED WITH AN HALOGEN ATOM, PREFERABLY A IODINE ATOM, OR WITH AN ORGANOSULPHONATE GROUP, IN A BASIC MEDIUM IN THE PRESENCE OF A PALLADIUM CATALYST. MONTELL TECHNOLOGY COMPANY BV (NL) 2001-08-07 US disclosed
EP-0910560-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES Montell Technology Company bv (NL) 1999-04-28 EP disclosed
WO-1998046547-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-22 WO disclosed