SCHEMBL7090601

SCHEMBL7090601

CC(C)(C)c1ccc(C2=Cc3ncccc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KIF11 P52732 2/20 0.41
HTR1D P28221 1/20 0.36
ADRA1A P35348 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
TRPV1 Q8NER1 7/20 0.35
AKT1 P31749 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7093370 0.85 KIF11 (0.41) KIF11NISCHTRPV1AKT1CYP11B1
SCHEMBL7093600 0.83 CYP11B1 (0.41) KMT2AALDH1A1KDM4ENISCHCYP11B1
SCHEMBL7094263 0.81 CYP11B1 (0.45) KMT2AALDH1A1NISCHCYP11B1CYP11B2
SCHEMBL7095208 0.80 CYP11B1 (0.47) ALDH1A1KDM4ECYP11B1CYP11B2MAPT
SCHEMBL7096288 0.80 CYP11B1 (0.37) KMT2AALDH1A1KDM4EADRA1ACYP11B1
SCHEMBL7094267 0.80 CYP11B1 (0.37) ALDH1A1KDM4EAKT1CYP11B1CYP11B2
SCHEMBL7094835 0.79 CLK4 (0.49) KMT2AALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL7090626 0.78 CYP11B1 (0.36) KDM4ECYP11B1CYP11B2
SCHEMBL7090607 0.75 CYP11B1 (0.36) ALDH1A1CYP11B1CYP11B2POLBMAPT
SCHEMBL7093389 0.75 CYP11B1 (0.34) KIF11CYP11B1CYP11B2

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