Benzene

Benzene

SCHEMBL28435487

O=S(=O)(O)c1ccc(F)cc1.c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 2/20 0.53
ALDH1A1 P00352 3/20 0.52
NT5E P21589 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL66196 0.95 LMNA (0.59) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6914534 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6912742 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6909666 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6916646 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
Hydrochloric Acid SCHEMBL3278762 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6918593 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6914537 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6914794 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6
SCHEMBL6114756 0.92 LMNA (0.56) TSHRSMN1; SMN2LMNAPOLBCYP2D6

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-109574891-B Synthetic method of triaryl-substituted alkenyl thioether compound 湖南医药学院 2020-06-30 CN disclosed