SCHEMBL7090607

SCHEMBL7090607

Cc1cc(C)cc(C2=Cc3ncccc3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP19A1 P11511 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
GRM4 Q14833 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
NPY5R Q15761 1/20 0.30
POLB P06746 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
SCHEMBL7093600 0.85 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1RXRAGRIN1
SCHEMBL7095208 0.80 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1ALDH1A1MAPT
SCHEMBL7093389 0.77 CYP11B1 (0.34) CYP11B1CYP11B2GRM4NPY5R
SCHEMBL7094263 0.77 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1ALDH1A1NPC1
SCHEMBL7096288 0.75 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1ALDH1A1NPC1
SCHEMBL7094267 0.75 CYP11B1 (0.37) CYP11B1CYP11B2ALDH1A1MAPTNPC1
SCHEMBL7090601 0.75 KMT2A (0.44) CYP11B1CYP11B2ALDH1A1MAPTRAB9A
SCHEMBL7094835 0.75 CLK4 (0.49) CYP11B1CYP11B2CYP19A1ALDH1A1MAPT
SCHEMBL12094093 0.75 HSP90AA1 (0.35) CYP11B1CYP11B2ALDH1A1MAPTNPC1
SCHEMBL7090626 0.74 CYP11B1 (0.36) CYP11B1CYP11B2GRIN1GRIN2B

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 2 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