Benzene

Benzene

SCHEMBL28033494

C=CCS(=O)(=O)c1[nH]c2ccccc2c1C(=O)CC.c1ccccc1

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 6/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
MITF O75030 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
GFER P55789 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
OXER1 Q8TDS5 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL28033014 0.79 TUBB4A (0.50) ALOX5ALDH1A1KMT2ALMNARAB9A
SCHEMBL15572668 0.70 ALDH1A1 (0.73) ALDH1A1KMT2ALMNARAB9AMITF
SCHEMBL27983671 0.65 TUBB4A (0.55) ALDH1A1KMT2ALMNANPSR1MAPT
SCHEMBL27611388 0.65 AHR (0.36) ALOX5ALDH1A1KMT2ALMNARAB9A
Carbazole SCHEMBL3924065 0.65 ALDH1A1 (0.58) ALDH1A1KMT2ALMNARAB9AMAPT
SCHEMBL3426478 0.64 KDM4E (0.66) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL27948877 0.64 KDM4E (0.68) ALDH1A1KMT2ALMNARAB9ANPSR1
SCHEMBL10478444 0.64 KDM4E (0.53) ALOX5ALDH1A1KMT2ALMNARAB9A
SCHEMBL9442793 0.64 KDM4E (0.56) ALDH1A1KMT2ARAB9AMAPTKDM4E
SCHEMBL28165688 0.63 KDM4E (0.54) ALDH1A1KMT2ALMNARAB9AMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061287-A N-substituted benzenesulfonyl-3-propionyl indole derivative, preparation method and application UNIV HENAN SCIENCE & TECH 2015-11-18 CN claimed
CN-105061287-A N-substituted benzenesulfonyl-3-propionyl indole derivative, preparation method and application UNIV HENAN SCIENCE & TECH 2015-11-18 CN disclosed