SCHEMBL28482136

SCHEMBL28482136

O=[N+]([O-])c1cc(Br)c2nsnc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TXNRD1 Q16881 3/20 0.47
TXNRD3 Q86VQ6 3/20 0.47
TXNRD2 Q9NNW7 3/20 0.47
EP300 Q09472 1/20 0.46
PTPN11 Q06124 1/20 0.42
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CTSB P07858 1/20 0.37
MEN1 O00255 1/20 0.34
NQO2 P16083 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL5708742 0.87 TXNRD1 (0.53) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL5708753 0.86 TXNRD1 (0.51) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL3499733 0.76 TXNRD1 (0.54) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL5708726 0.76 KMT2A (0.47) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL28788692 0.74 KMT2A (0.45) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL2418995 0.72 MAPT (0.42) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL28492944 0.72 KMT2A (0.46) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL29755512 0.71 KMT2A (0.35) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL28914680 0.71 KMT2A (0.35) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2
SCHEMBL15220551 0.70 TXNRD1 (0.66) KMT2AL3MBTL1TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754868-B Conjugated polymer based on thiophene and benzothiadiazole and preparation method thereof 福州大学 2022-06-14 CN claimed
CN-113754868-A Conjugated polymer based on thiophene and benzothiadiazole and preparation method thereof 福州大学 2021-12-07 CN claimed
CN-119569754-A Thiophene pyrrole fused benzothiadiazole dichroic dye and application thereof 西安工业大学 2025-03-07 CN disclosed
CN-118206721-A Nitro and/or amino modified benzothiadiazole polymer and preparation method and application thereof 五邑大学 2024-06-18 CN disclosed
CN-113754868-B Conjugated polymer based on thiophene and benzothiadiazole and preparation method thereof 福州大学 2022-06-14 CN disclosed
CN-113754869-B Fused ring polymer donor material based on benzothiadiazole or benzoselenadiazole and preparation method thereof 福州大学 2022-06-14 CN disclosed
CN-113754868-A Conjugated polymer based on thiophene and benzothiadiazole and preparation method thereof 福州大学 2021-12-07 CN disclosed
CN-113754869-A Fused ring polymer donor material based on benzothiadiazole or benzoselenadiazole and preparation method thereof 福州大学 2021-12-07 CN disclosed
CN-108101901-B Active oxygen-dependent hydrogen sulfide fluorescent probe and preparation method and application thereof 南京大学 2020-11-24 CN disclosed