SCHEMBL6531333

SCHEMBL6531333

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr]C1C(C)=Cc2c(-c3ccccc3)cccc21.CN(C)BBN(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
GPR3 P46089 1/20 0.30
HTR7 P34969 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
SCHEMBL31253552 0.90 PDCD1 (0.35) PDCD1CD274HTR7
SCHEMBL3404398 0.90 PDCD1 (0.35) PDCD1CD274HTR7
Hydrochloric Acid SCHEMBL7943365 0.87 PDCD1 (0.33) PDCD1CD274
SCHEMBL5678404 0.86 PDCD1 (0.33) PDCD1CD274
SCHEMBL7983533 0.83 PDCD1 (0.34) PDCD1CD274
SCHEMBL14905713 0.83 NPC1 (0.33) PDCD1CD274
SCHEMBL4469094 0.80 ALDH1A1 (0.37) PDCD1CD274
SCHEMBL4465450 0.80 KDM4E (0.34) PDCD1CD274
SCHEMBL7180174 0.80 MAOB (0.37)
SCHEMBL7180179 0.80 MAOB (0.37)

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
US-6891005-B2 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED (GB) 2005-05-10 US claimed