SCHEMBL7090626

SCHEMBL7090626

C1=C(c2ccc(CCc3ccc(C4=Cc5ncccc5C4)cc3)cc2)Cc2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRB2 P07550 1/20 0.33
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
RIPK1 Q13546 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDR P35968 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL7094263 0.83 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL7095208 0.83 CYP11B1 (0.47) CYP11B1CYP11B2KDM4E
SCHEMBL7093600 0.82 CYP11B1 (0.41) CYP11B1CYP11B2GRIN1GRIN2BKDM4E
SCHEMBL7094267 0.82 CYP11B1 (0.37) CYP11B1CYP11B2KDM4E
SCHEMBL7096288 0.82 CYP11B1 (0.37) CYP11B1CYP11B2ADRB2KDM4E
SCHEMBL7093370 0.78 KIF11 (0.41) CYP11B1CYP11B2
SCHEMBL7090601 0.78 KMT2A (0.44) CYP11B1CYP11B2KDM4E
SCHEMBL7094835 0.78 CLK4 (0.49) CYP11B1CYP11B2RIPK1KDM4E
SCHEMBL7090607 0.74 CYP11B1 (0.36) CYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL7095163 0.73 MAOB (0.45) KDM4E

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