SCHEMBL28024299

SCHEMBL28024299

CC(C)C1=Cc2c(-c3ccccc3)cccc2C1[Zr].[Zr]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
BACE1 P56817 1/20 0.30
BRD4 O60885 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
SCHEMBL7853080 0.98 CHRNB2 (0.32) CHRNB2CHRNA4MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL28755372 0.97 CHRNB2 (0.31) CHRNB2CHRNA4MEN1POLBKMT2A
SCHEMBL28820981 0.93
SCHEMBL7862483 0.90
SCHEMBL7863520 0.87
SCHEMBL27757725 0.87 BRD4 (0.34) MEN1KMT2ABRD4
SCHEMBL4469130 0.83 BRD4 (0.33) BRD4
SCHEMBL29922672 0.83 BRD4 (0.33) BRD4
SCHEMBL6032657 0.82 BRD4 (0.30) BRD4
Hydrochloric Acid SCHEMBL5143995 0.82 BRD4 (0.32) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101356199-B Novel bridged metallocene catalyst is used to prepare the method for extra high molecular polymer TICONA GMBH (DE) 2015-08-05 CN disclosed