Benzenethiol

Benzenethiol

SCHEMBL28334739

C1COCCN1.Sc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ APEX1 P27695 1/20 0.38
▸ HTR2C P28335 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ CRHBP P24387 2/20 0.34
▸ CRHR2 Q13324 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
Benzenethiol SCHEMBL5512763 0.83 LMNA (0.48) MEN1KMT2AGAASIGMAR1LMNA
Morpholine SCHEMBL3664363 0.80 MEN1 (0.73) MEN1KMT2AKDM4EGAACYP2C9
Naphthalene SCHEMBL28210871 0.78 KDM4E (0.55) MEN1KMT2AKDM4EGAACYP2C9
Aniline SCHEMBL74276 0.77 TSHR (0.50) MEN1KMT2AKDM4EGAACYP2C9
Toluene SCHEMBL3946837 0.77 LMNA (0.50) MEN1KMT2AKDM4EGAACYP2C9
Phenol SCHEMBL28582780 0.77 CA12 (0.50) MEN1KMT2AKDM4EGAACYP2C9
Phenol SCHEMBL11797218 0.77 CA12 (0.50) MEN1KMT2AKDM4EGAACYP2C9
Benzenethiol SCHEMBL5512761 0.76 ALDH1A1 (0.40) KMT2AKDM4ESIGMAR1LMNACRHBP
Morpholine SCHEMBL9443166 0.76 MEN1 (0.46) MEN1KMT2AKDM4EGAACYP2C9
Morpholine SCHEMBL11760744 0.76 MEN1 (0.46) MEN1KMT2AKDM4EGAACYP2C9

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-105954973-B Chemical amplification positive anti-corrosion agent composition and pattern forming method 信越化学工业株式会社 2019-11-12 — — CN disclosed
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