Benzene

Benzene

SCHEMBL9326315

CN(C)CCC=O.c1ccccc1

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.39
SLC6A2 P23975 5/20 0.39
HTR2A P28223 5/20 0.39
HTR2B P41595 5/20 0.39
KCNH2 Q12809 5/20 0.39
CHRM2 P08172 4/20 0.39
HTR1A P08908 4/20 0.39
CHRM1 P11229 4/20 0.39
DRD2 P14416 4/20 0.39
ADRA2C P18825 4/20 0.39
CHRM3 P20309 4/20 0.39
HTR2C P28335 4/20 0.39
SLC6A4 P31645 4/20 0.39
ADRA1A P35348 4/20 0.39
DRD3 P35462 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
OPRK1 P41145 3/20 0.39
CACNA1B Q00975 3/20 0.39
TSHR P16473 3/20 0.39

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
SCHEMBL196330 0.91
Bromide SCHEMBL27962011 0.88
SCHEMBL1284231 0.88
Hydrochloric Acid SCHEMBL29285203 0.88
SCHEMBL1751213 0.74
SCHEMBL29169584 0.73 ALDH1A1 (0.42) TSHRTP53LMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL17550738 0.72
Bromide SCHEMBL17550734 0.72
SCHEMBL5223845 0.72
SCHEMBL2231055 0.72

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340826-B1 Method of manufacturing conductive heterocyclic polymers, new heterocyclic conductive polymers, new intermediate products for the preparation of the polymers, and synthesis of the intermediate products PHILIPS NV (NL) 1994-02-02 EP disclosed
US-5232630-A Method of manufacturing conductive heterocyclic polymers by reacting new polymeric intermediate products with NH3, a NH3 producing substance, P2 S5 or Lawesson's reagent U.S. PHILIPS CORPORATION (US) 1993-08-03 US disclosed
EP-0340826-A1 Method of manufacturing conductive heterocyclic polymers, new heterocyclic conductive polymers, new intermediate products for the preparation of the polymers, and synthesis of the intermediate products Koninklijke Philips Electronics N.V. (NL) 1989-11-08 EP disclosed