SCHEMBL7603358

SCHEMBL7603358

CC1=C2c3c(ccc4ccccc34)C1[Zr](C)(C)C1C(C)=C(c3c1ccc1ccccc31)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
CYP2A6 P11509 3/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
MYB P10242 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL7602562 0.82 HTR1A (0.34) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7602972 0.75 PDCD1 (0.34) ALDH1A1HSD17B10HTR1AHTR7HTR2B
SCHEMBL7601455 0.73 DHFR (0.32) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL5355719 0.72 ALDH1A1 (0.33) MAPTKDM4ELMNAALDH1A1MAPK1
SCHEMBL796360 0.71 MEN1 (0.32) MEN1KMT2AKDM4ELMNATDP1
SCHEMBL7597779 0.71 IDO1 (0.33) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL797793 0.70 MEN1 (0.33) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL7599708 0.65 KDM4E (0.31) MAPTKDM4ELMNAALDH1A1MAPK1
SCHEMBL2539931 0.62 CYP2A6 (0.48) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL12537735 0.60 ALDH1A1 (0.43) MEN1KMT2AMAPTKDM4ELMNA

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