SCHEMBL6754871

SCHEMBL6754871

C=[Zr](C1C(CC)=Cc2c(-c3ccccc3)cccc21)C1C(CC)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ADRB2 P07550 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL7807191 0.87 BRD4 (0.32) BRD4PDCD1CD274ADRB2CHRNB2
SCHEMBL5604829 0.86 BRD4 (0.31) BRD4PDCD1CD274ADRB2CHRNB2
SCHEMBL28034432 0.84 BRD4 (0.31) BRD4PDCD1CD274
Hydrochloric Acid SCHEMBL8167960 0.84 BRD4 (0.31) BRD4
SCHEMBL5981897 0.83 BRD4 (0.30) BRD4
SCHEMBL1582674 0.83 BRD4 (0.30) BRD4
SCHEMBL6751256 0.83 BRD4 (0.30) BRD4
SCHEMBL2432085 0.83 BRD4 (0.30) BRD4
SCHEMBL27594171 0.83 EDNRB (0.32) BRD4
SCHEMBL5981941 0.81 EDNRB (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713562-B2 MOLDABILITY AND CAPABLE OF PROVIDING MOLDINGS HAVING PLIABILITY MITSUI CHEMICALS, INC. (JP) 2004-03-30 US disclosed
US-20030022999-A1 Resin compositions and use of the same KAGAMI MAMORU (JP) 2003-01-30 US disclosed