SCHEMBL9075904

SCHEMBL9075904

Cl[Ti]C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 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
HTR2C P28335 1/20 0.31
ADRA1A P35348 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
SCHEMBL1820089 0.86 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4EBRD4
Fluoromethane SCHEMBL8528917 0.81 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL8779530 0.80 HTR2A (0.33) HTR2AHTR6SIGMAR1KDM4EBRD4
Biphenyl SCHEMBL819251 0.79 ALDH1A1 (0.36) HTR2AHTR6SIGMAR1
SCHEMBL7764724 0.78 HTR6 (0.41) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL8779476 0.76 HTR6 (0.31) HTR2AHTR6
SCHEMBL8779569 0.75 HTR2A (0.33) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL6535429 0.75 SIGMAR1 (0.39) HTR2AHTR6SIGMAR1KCNH2HSD17B10
SCHEMBL21980269 0.71 HTR6 (0.50) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL5954133 0.70 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4EBRD4

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-0737694-A1 PROCESS FOR PRODUCING OLEFIN POLYMER AND ETHYLENE POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-10-16 EP disclosed