Benzene

Benzene

SCHEMBL28239798

Cc1c(O)c(N)cc(N)c1O.c1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.41
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
PIK3CA P42336 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PTK2 Q05397 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TTR P02766 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL5028438 0.94 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTLMNA
Hydrochloric Acid SCHEMBL27979336 0.92 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTLMNA
Hydrochloric Acid SCHEMBL9014930 0.92 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL28575233 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL9500782 0.82 TRPA1 (0.46) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL19730667 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL12127221 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL3618414 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTLMNA
Cystamine SCHEMBL28068510 0.74 MAPT (0.42) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL28878856 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTLMNA

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-108384007-A One birdss of the same feather flock together hydroxyl to phenylene first Benzo-dioxazole polymer, monomer and its preparation and application 金宁人 2018-08-10 CN claimed