SCHEMBL19280612

SCHEMBL19280612

O=[SH](=O)Nc1ccc(CBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL18714924 0.79 HPGD (0.47) ALDH1A1MAPTRAB9A
SCHEMBL15255288 0.77 HRH3 (0.44) MAPT
SCHEMBL20837819 0.77 SRC (0.32) MAPTRAB9A
SCHEMBL31527813 0.77 UCHL1 (0.47) ALDH1A1MAPTRAB9A
SCHEMBL23002471 0.76 THRA (0.40) ALDH1A1
Hydrochloric Acid SCHEMBL20775111 0.76 HRH3 (0.42) MAPT
SCHEMBL28379715 0.75 ALDH1A1 (0.38) TRPA1ALDH1A1TSHRMAPT
SCHEMBL15706583 0.74 TAAR1 (0.50) ALDH1A1TSHR
SCHEMBL28712370 0.74 PLK1 (0.44) ALDH1A1
SCHEMBL28815558 0.74 HRH3 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4350056-A2 GENETIC ENCODING OF CHEMICAL POST-TRANSLATIONAL MODIFICATION FOR PHAGE-DISPLAYED LIBRARIES The Governors Of The University Of Alberta (CA) 2024-04-10 — — EP disclosed
EP-3209819-B1 GENETIC ENCODING OF CHEMICAL POST-TRANSLATIONAL MODIFICATION FOR PHAGE-DISPLAYED LIBRARIES UNIV ALBERTA (CA) 2024-02-14 — — EP disclosed
CN-110872299-B P-benzoquinone-bis-triazole core skeleton derivative and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2022-09-30 — — CN disclosed
US-10724034-B2 Genetic encoding of chemical post-translational modification for phage-displayed libraries 48Hour Discovery Inc. (CA) 2020-07-28 — — US disclosed
CN-110872299-A P-benzoquinone-bis-triazole core skeleton derivative and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2020-03-10 — — CN disclosed
US-20170355982-A1 GENETIC ENCODING OF CHEMICAL POST-TRANSLATIONAL MODIFICATION FOR PHAGE-DISPLAYED LIBRARIES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-12-14 — — US disclosed
EP-3209819-A1 GENETIC ENCODING OF CHEMICAL POST-TRANSLATIONAL MODIFICATION FOR PHAGE-DISPLAYED LIBRARIES The Governors Of The University Of Alberta (CA) 2017-08-30 — — EP disclosed
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