SCHEMBL28035002

SCHEMBL28035002

CC1=Cc2c(-c3ccccc3)cc(C)cc2C1[Zr](Cl)Cl.[Zr]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.33
NUDT1 P36639 1/20 0.31
HDAC7 Q8WUI4 1/20 0.30
PSMB5 P28074 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
SCHEMBL27670455 0.99 METAP2 (0.33) METAP2NUDT1HDAC7PSMB5
SCHEMBL20640516 0.85
SCHEMBL27537504 0.82 METAP2 (0.36) METAP2
SCHEMBL3163967 0.81 BRD4 (0.33)
SCHEMBL5721771 0.79
SCHEMBL28024193 0.78 METAP2 (0.35) METAP2NUDT1HDAC7PSMB5
SCHEMBL5860442 0.77 METAP2 (0.36) METAP2NUDT1HDAC7PSMB5
Hydrochloric Acid SCHEMBL28035005 0.77 METAP2 (0.34) METAP2NUDT1HDAC7PSMB5
SCHEMBL27757805 0.76 METAP2 (0.36) METAP2NUDT1HDAC7PSMB5
SCHEMBL6064053 0.76 MAOA (0.31)

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-103012623-B Metalloscene catalyst, its synthesis and purposes in olefin polymerization NOVOLEN TECH HOLDINGS CV (DE) 2015-09-16 CN disclosed