SCHEMBL28116360

SCHEMBL28116360

O=[C]CC1c2ccccc2-c2ccc(I)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
AR P10275 1/20 0.30
EPHX2 P34913 1/20 0.30
TSHR P16473 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
SCHEMBL73176 0.84 HTR2A (0.52) HTR2ACA1CA2FABP7FABP5
SCHEMBL20759187 0.72 EPHX2 (0.45) CA1CA2FABP7FABP5EPHX2
SCHEMBL23483022 0.70 EPHX2 (0.43) CA1CA2FABP7FABP5EPHX2
SCHEMBL19421754 0.68 HTR2B (0.47) HTR2AALDH1A1HRH3AR
SCHEMBL31026779 0.67 HRH3 (0.35) HRH3
SCHEMBL31026780 0.67 HRH3 (0.35) HRH3
SCHEMBL25282118 0.67 HRH3 (0.35) HRH3
Hydrochloric Acid SCHEMBL3201491 0.67 GPR3 (0.32) HTR2AAR
SCHEMBL2121843 0.66 HTR2A (0.48) HTR2ACA1CA2FABP7FABP5
SCHEMBL218397 0.66 HTR2A (0.58) HTR2ACA1CA2FABP7FABP5

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
CN-106220553-A Carbazole-fluorene ethylene derivatives and synthetic method thereof 沈阳大学 2016-12-14 CN disclosed