SCHEMBL7062671

SCHEMBL7062671

Cl[Ti](Cl)(C1C(c2cccs2)=Cc2ccccc21)C1C(c2cccs2)=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PTAFR P25105 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7752471 0.76 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7752887 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7064894 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7064765 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL394240 0.75
Hydrochloric Acid SCHEMBL7064763 0.74 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7752884 0.74 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7064893 0.73 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7062670 0.73 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7177990 0.72 RAB9A (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3

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
US-6635733-B2 Coordination catalyst; radiation transparent, elasticity CHISSO CORPORATION (JP) 2003-10-21 US disclosed
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed
US-20020002261-A1 Elastomeric polypropylene JNC PETROCHEMICAL CORPORATION (JP) 2002-01-03 US disclosed