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SCHEMBL29570529

SCHEMBL29570529

CN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ ALDH1A1 P00352 5/20 0.65
▸ GAA P10253 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ HPGD P15428 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CDC25B P30305 3/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KCNH2 Q12809 2/20 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
SCHEMBL6205557 1.00 KMT2A (0.72) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL22938991 0.90 MEN1 (0.58) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL22939380 0.89 KMT2A (0.58) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL22938966 0.89 HPGD (0.57) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL22939649 0.87 ALDH1A1 (0.64) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL22939013 0.86 ALDH1A1 (0.61) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL9010008 0.85 KMT2A (0.65) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL9618590 0.85 KMT2A (0.78) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL8012544 0.85 KMT2A (0.57) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL11842816 0.85 MEN1 (0.53) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005645-A Preparation and application of sulfonamide fluorescent probe with permeability 复旦大学 2024-05-10 — — CN disclosed
CN-114316219-B Polymer with electrochromic and thermochromic properties as well as preparation method and application thereof 北京大学深圳研究生院 2023-11-28 — — CN disclosed
CN-116947842-A Rhodamine-methylindole-free fluorescent dye and synthetic method and application thereof 大连理工大学 2023-10-27 — — CN disclosed
CN-115477654-B Near-infrared rhodamine dye with large Stokes displacement and synthesis method thereof 南宁师范大学 2023-08-22 — — CN disclosed
CN-114874639-B Novel hemicyanine near infrared fluorescent dye, and synthesis method and application thereof 大连理工大学 2023-07-14 — — CN disclosed
CN-115477654-A Near-infrared rhodamine dye with high stability and large Stokes shift and synthetic method thereof 南宁师范大学 2022-12-16 — — CN disclosed
EP-4072863-A1 A COMPOSITION DataLase Ltd (GB) 2022-10-19 — — EP disclosed
CN-114874639-A Novel hemicyanine near-infrared fluorescent dye, and synthetic method and application thereof 大连理工大学 2022-08-09 — — CN disclosed
CN-114163450-B Thermochromic material with single rhodamine structure, developing composition, preparation method and application thereof 北京高德品创科技有限公司 2022-05-06 — — CN disclosed
CN-114163617-B Thermochromic polymer material and application thereof 北京高德品创科技有限公司 2022-05-06 — — CN disclosed
CN-114316219-A Polymer with electrochromic and thermochromic performances as well as preparation method and application thereof 北京大学深圳研究生院 2022-04-12 — — CN disclosed