Benzene

Benzene

SCHEMBL27696759

C1=NCCN1.C1=NCCN1.c1ccccc1

nearest known ligand 0.30

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ GABRA4 P48169 1/20 0.30
▸ GABRE P78334 1/20 0.30
▸ GABRA6 Q16445 1/20 0.30
▸ GABRG1 Q8N1C3 1/20 0.30
▸ GABRG3 Q99928 1/20 0.30
▸ GABRQ Q9UN88 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
Benzene SCHEMBL27515431 1.00 GABRP (0.30) GABRPGABRDGABRA1GABRB1GABRG2
Benzene SCHEMBL27999450 0.97 — —
Hydrogen Peroxide SCHEMBL28211130 0.94 — —
SCHEMBL71779 0.94 — —
SCHEMBL9720250 0.94 — —
SCHEMBL9646 0.94 — —
SCHEMBL1018939 0.94 — —
Bromide SCHEMBL9188572 0.90 — —
SCHEMBL4279872 0.90 — —
Water SCHEMBL7065104 0.90 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100588656-C Forcipated diimidazoline palladium compound and its application in Suzuki reaction UNIV ZHENGZHOU 2010-02-10 — — CN disclosed
CN-100478333-C Chiral and non-chiral diimidazolinylbenzene compounds and synthesis method UNIV ZHENGZHOU (CN) 2009-04-15 — — CN disclosed
CN-101020701-A Forcipated diimidazoline palladium compound and its application in Suzuki reaction UNIV ZHENGZHOU (CN) 2007-08-22 — — CN disclosed
CN-101012198-A Chiral and non-chiral diimidazolinylbenzene compounds and synthesis method UNIV ZHENGZHOU (CN) 2007-08-08 — — CN disclosed
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