Chlorobenzene

Chlorobenzene

SCHEMBL9168737

CCCCC1=C(CC2=C(CCCC)C=CC2)CC=C1.Clc1ccccc1.[Ti]

nearest known ligand 0.37

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 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
Chlorobenzene SCHEMBL9163427 0.97 ADORA3 (0.33) ADORA3SLC6A3POLBTSHRSIGMAR1
Chlorobenzene SCHEMBL9171782 0.97 ADORA3 (0.33) ADORA3SLC6A3POLBTSHRSIGMAR1
Hydrochloric Acid SCHEMBL9168906 0.84
Hydrochloric Acid SCHEMBL9167083 0.81 HTR1D (0.33)
Hydrochloric Acid SCHEMBL9168913 0.81 NISCH (0.33)
Hydrochloric Acid SCHEMBL9170901 0.81 HTR1D (0.33)
Hydrochloric Acid SCHEMBL9170899 0.81
Hydrochloric Acid SCHEMBL9167079 0.81
Chlorobenzene SCHEMBL8155712 0.79 TSHR (0.32) ADORA3SLC6A3POLBTSHRSIGMAR1
Chlorobenzene SCHEMBL8156616 0.79 TSHR (0.32) ADORA3SLC6A3POLBTSHRSIGMAR1

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-5420320-A Method for preparing cyclopentadienyl-type ligands and metallocene compounds PHILLIPS PETROLEUM COMPANY (US) 1995-05-30 US disclosed