SCHEMBL7603023

SCHEMBL7603023

CC1=Cc2c(-c3ccccc3)cccc2C1[Ti](C)(C)(=[SiH2])(c1ccccc1)(c1ccccc1)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
BRD4 O60885 1/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 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
SCHEMBL7596972 0.80
SCHEMBL797361 0.79 PDCD1 (0.31) PDCD1CD274HTR1AHTR7
SCHEMBL7525652 0.74 PDCD1 (0.36) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL7646762 0.74
SCHEMBL7644527 0.73
SCHEMBL5694274 0.72 PDCD1 (0.37) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL28550963 0.71 PDCD1 (0.36) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL7030356 0.71 PDCD1 (0.36) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL4603520 0.71 PDCD1 (0.36) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL27478125 0.71 PDCD1 (0.36) PDCD1CD274HTR1AHTR7HTR2B

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed