SCHEMBL7858858

SCHEMBL7858858

C[Zr](C)(=[SiH2])(C1C(c2cccs2)=Cc2ccccc21)C1C(c2cccs2)=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
APEX1 P27695 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL4459256 0.99 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4459251 0.79 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL3734171 0.75 CYP19A1 (0.31)
SCHEMBL7752471 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7177990 0.73 RAB9A (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL4456977 0.72 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7752884 0.72 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7064763 0.72 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL5172064 0.72
Hydrochloric Acid SCHEMBL7062670 0.71 CHRM2 (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326493-B1 COORDINATION CATALYST CHISSO CORPORATION (JP) 2001-12-04 US disclosed