Benzene

Benzene

SCHEMBL28053479

N#CN(F)F.c1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.32

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 SCHEMBL27508875 0.64 CA1 (0.40) TSHR
Benzene SCHEMBL27357728 0.64 CA1 (0.40) TSHR
Benzene SCHEMBL27534754 0.64 TP53 (0.38) TSHR
Benzene SCHEMBL11963058 0.61
Benzene SCHEMBL905178 0.60 TSHR (0.75) ALDH1A1TSHR
Benzene SCHEMBL9239251 0.60
Benzene SCHEMBL1039544 0.60
Benzene SCHEMBL6579914 0.60
Benzene SCHEMBL7054638 0.60 TSHR (0.35) TSHR
Benzene SCHEMBL7782037 0.60 CA1 (0.67) TSHR

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-102076680-B Benzimidazoles as Prolyl Hydroxylase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-02 CN disclosed