SCHEMBL28037838

SCHEMBL28037838

[N-]=[N+]=Nc1ccc(C(=O)Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.50
▸ SCN1A P35498 1/20 0.49
▸ SCN2A Q99250 1/20 0.49
▸ SCN3A Q9NY46 1/20 0.49
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ CYP51A1 Q16850 2/20 0.45
▸ PTGS2 P35354 3/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ NOX1 Q9Y5S8 2/20 0.42
▸ SCD O00767 1/20 0.39
▸ ALB P02768 2/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ CA12 O43570 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
SCHEMBL13882615 0.83 TP53 (0.53) TP53SCN1ASCN2ASCN3ACA1
SCHEMBL13449659 0.81 TP53 (0.52) TP53SCN1ASCN2ASCN3ACA1
SCHEMBL28083230 0.81 TP53 (0.52) TP53SCN1ASCN2ASCN3ACA1
Hydrochloric Acid SCHEMBL28856167 0.79 TP53 (0.50) TP53SCN1ASCN2ASCN3ACA1
SCHEMBL15042744 0.79 NOS1 (0.52) TP53SCN1ASCN2ASCN3ACA1
SCHEMBL13653950 0.79 NOS3 (0.53) TP53SCN1ASCN2ASCN3ACA1
SCHEMBL15823854 0.79 TP53 (0.50) TP53SCN1ASCN2ASCN3ACA1
SCHEMBL14020632 0.79 TP53 (0.50) TP53SCN1ASCN2ASCN3ACA1
SCHEMBL13947888 0.79 SCN1A (0.56) TP53SCN1ASCN2ASCN3ACA2
SCHEMBL14060112 0.79 SCN1A (0.56) TP53SCN1ASCN2ASCN3ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409738-A Hydrogen sulfide responsive carbon monoxide donor molecule, and preparation method and application thereof 中国科学技术大学 2025-02-11 — — CN disclosed
CN-114729480-A Knitted component with foam surface features 耐克创新有限合伙公司 2022-07-08 — — CN disclosed
CN-114729478-A Upper for an article of footwear and method of making the same 耐克创新有限合伙公司 2022-07-08 — — CN disclosed
CN-104974360-B Super-absorbent polymer and preparation method thereof with improved smell control ability 赢创德固赛有限公司 2018-08-28 — — CN disclosed
CN-103857714-B Super absorbent polymer having fast absorption property and method for preparing the same 赢创德固赛有限公司 2017-02-15 — — CN disclosed
CN-104974360-A Superabsorbent polymers having improved odour control properties and method for the production of same EVONIK INDUSTRIES AG 2015-10-14 — — CN disclosed
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