SCHEMBL6837862

SCHEMBL6837862

CCCN[Hf](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.34
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
THPO P40225 1/20 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
SCHEMBL6833674 0.91 SIGMAR1 (0.32) SIGMAR1KDM4ELMNATP53CHRM2
SCHEMBL5856663 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL5853677 0.80 ALOX5 (0.34) KDM4ELMNACYP3A4MEN1KMT2A
SCHEMBL5852698 0.80 SIGMAR1 (0.31) SIGMAR1CYP3A4MEN1KMT2A
SCHEMBL6840562 0.79
SCHEMBL5853443 0.78 ALDH1A1 (0.34) KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5853445 0.78 EPHX2 (0.37) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5853704 0.78
SCHEMBL5853725 0.77
SCHEMBL5852540 0.77 EPHX2 (0.39) MEN1KMT2A

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
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed