SCHEMBL7036100

SCHEMBL7036100

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1CC1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KIF11 P52732 2/20 0.31
S1PR1 P21453 1/20 0.31
DGAT1 O75907 1/20 0.31
PARP1 P09874 1/20 0.30
NR1H4 Q96RI1 3/20 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
SCHEMBL6890554 0.91 BRD4 (0.36) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL4629764 0.87 BRD4 (0.34) BRD4CREBBP
SCHEMBL22411214 0.87 BRD4 (0.34) BRD4CREBBP
SCHEMBL4003324 0.87 BRD4 (0.34) BRD4CREBBP
SCHEMBL5608200 0.85 BRD4 (0.33) BRD4CREBBP
SCHEMBL5548678 0.84 BRD4 (0.33) BRD4CREBBP
SCHEMBL20338970 0.84 BRD4 (0.33) BRD4CREBBP
SCHEMBL22418974 0.84 BRD4 (0.34) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL5607352 0.83 BRD4 (0.32) BRD4CREBBP
SCHEMBL7198398 0.83 BRD4 (0.35) BRD4CREBBPTNKSTNKS2PARP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620953-B1 Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts BASSELL POLYOLEFINE GMBH (DE) 2003-09-16 US disclosed
EP-1133504-B1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 EP disclosed
EP-1052263-A2 Transition-metal compounds, catalyst systems, process for their preparation and use in the polymerisation of olefins TARGOR GmbH (DE) 2000-11-15 EP disclosed