SCHEMBL6902665

SCHEMBL6902665

CCc1ccc(C2=Cc3c(ccc4ccccc34)C2[Hf]C2C(c3ccc(CC)o3)=Cc3c2ccc2ccccc32)o1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR6 P50406 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL6898634 0.91 KDM4E (0.36) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL7119526 0.84 KDM4E (0.34) KDM4ECHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6898185 0.82 CHRM2 (0.34) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL6902547 0.81 CYP1A1 (0.38) KDM4ECHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6898454 0.73 KDM4E (0.33) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL6897870 0.73 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6903109 0.72 HTR6 (0.35) KDM4ECHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6902739 0.71 HTR6 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6903206 0.68 KDM4E (0.39) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL6904348 0.67 CCR1 (0.37) KDM4E

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
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed