SCHEMBL7602713

SCHEMBL7602713

CCC1=C2c3c(ccc4ccccc34)C1[Hf](C)(C)C1C(CC)=C(c3c1ccc1ccccc31)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
KDM4E B2RXH2 5/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 4/20 0.32
HTT P42858 2/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A4 P31645 1/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL797176 0.84 HTR1A (0.34) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7602120 0.75 KDM4E (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL796360 0.74 MEN1 (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7597692 0.69 HTR7 (0.38) HTR1AHTR7MAPTSLC6A4
SCHEMBL7603358 0.65 MEN1 (0.38) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL797793 0.64 MEN1 (0.33) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL797522 0.64 MEN1 (0.35) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7600122 0.61 ALDH1A1 (0.33) KDM4ELMNAALDH1A1MAPK1MAPT
SCHEMBL7607532 0.60 SLC6A4 (0.33) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL2539931 0.60 CYP2A6 (0.48) KDM4ELMNAALDH1A1MAPK1MEN1

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