SCHEMBL29868095

SCHEMBL29868095

O=C1NC(=O)c2c(OS(=O)(=O)Cc3ccccc3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ CASP3 P42574 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GSK3B P49841 1/20 0.38
▸ CASP2 P42575 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ MAOA P21397 3/20 0.37
▸ MAOB P27338 3/20 0.37
▸ STK10 O94804 1/20 0.36
▸ SLK Q9H2G2 1/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL31734733 0.82 KMT2A (0.53) KMT2AALDH1A1MEN1HTTKCNA3
SCHEMBL1616158 0.78 METAP2 (0.48) KMT2ACASP3KDM4EALDH1A1MEN1
SCHEMBL8599835 0.77 MAOA (0.54) KMT2ACASP3KDM4EALDH1A1MEN1
SCHEMBL1027363 0.76 KDM4E (0.43) KMT2ACASP3KDM4EALDH1A1MEN1
SCHEMBL23245997 0.75 TSHR (0.46) KMT2ACASP3KDM4EALDH1A1MEN1
SCHEMBL1026931 0.75 DRD2 (0.43) KMT2ACASP3KDM4EALDH1A1MEN1
SCHEMBL27611345 0.75 ALPL (0.41) KMT2ACASP3KDM4EALDH1A1MEN1
SCHEMBL27593199 0.75 ALPL (0.41) KMT2ACASP3KDM4EALDH1A1MEN1
SCHEMBL4681008 0.74 KMT2A (0.58) KMT2AKDM4EALDH1A1POLBHTT
SCHEMBL29974341 0.74 KMT2A (0.61) KMT2AALDH1A1HTTELANEHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022270640-A2 POLYMER COMPOUND, COSMETIC, AND THICKENER 富士フイルム和光純薬株式会社 2022-12-29 — — WO disclosed
WO-2022215283-A1 LAYERED FILM FOR PATTERN FORMATION, NON-PHOTOSENSITIVE SCREEN PRINTING PLATE, AND METHOD FOR MANUFACTURING SAME 株式会社 ムラカミ 2022-10-13 — — WO disclosed
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