SCHEMBL7094263

SCHEMBL7094263

C1=C(c2ccc(-c3ccccc3)cc2)Cc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
CYP19A1 P11511 2/20 0.37
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SLC6A7 Q99884 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31

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
SCHEMBL7095208 0.96 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL7096288 0.85 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1ALDH1A1NPC1
SCHEMBL7094267 0.85 CYP11B1 (0.37) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL7093600 0.85 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1IP6K1IP6K3
SCHEMBL7090626 0.83 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL7093370 0.81 KIF11 (0.41) CYP11B1CYP11B2NPC1NISCHSLC6A7
SCHEMBL7094835 0.81 CLK4 (0.49) CYP11B1CYP11B2CYP19A1ALDH1A1NPC1
SCHEMBL7090601 0.81 KMT2A (0.44) CYP11B1CYP11B2ALDH1A1RAB9ANISCH
SCHEMBL7090607 0.77 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1ALDH1A1NPC1
SCHEMBL7093389 0.73 CYP11B1 (0.34) CYP11B1CYP11B2

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