SCHEMBL3672617

SCHEMBL3672617

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL6434165 0.96 BRD4 (0.30) BRD4
SCHEMBL6434207 0.85 NPC1 (0.32)
SCHEMBL7202513 0.85 PDCD1 (0.33) BRD4PDCD1CD274
SCHEMBL5709182 0.83 PDCD1 (0.34) BRD4PDCD1CD274CHRNB2CHRNA4
SCHEMBL3163967 0.82 BRD4 (0.33) BRD4PDCD1CD274CHRNB2CHRNA4
SCHEMBL7930455 0.82 BRD4 (0.33) BRD4PDCD1CD274CHRNB2CHRNA4
SCHEMBL5981897 0.82 BRD4 (0.30) BRD4
Hydrochloric Acid SCHEMBL8168468 0.81 BRD4 (0.33) BRD4PDCD1CD274CHRNB2CHRNA4
SCHEMBL8678769 0.81 BRD4 (0.33) BRD4PDCD1CD274CHRNB2CHRNA4
SCHEMBL9207249 0.80

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
EP-2203508-A1 COLOURED PIPES FOR TRANSPORTING DISINFECTANT-CONTAINING WATER Total Petrochemicals Research Feluy (BE) 2010-07-07 EP disclosed
WO-2009053228-A1 COLOURED PIPES FOR TRANSPORTING DISINFECTANT-CONTAINING WATER TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-04-30 WO disclosed
EP-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed