SCHEMBL29009419

SCHEMBL29009419

C[S+]([O-])c1ccc2c3c(cccc13)C(=O)N(CCC(=O)N1CCN(C(=O)O)CC1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ ALDH1A1 P00352 12/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GAA P10253 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 6/20 0.46
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ POLB P06746 2/20 0.42

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
SCHEMBL28942835 0.83 CYP1B1 (0.57) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28942833 0.82 KMT2A (0.54) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL29009417 0.77 HTR1A (0.34) KMT2AALDH1A1HSD17B10ALOX15TSHR
SCHEMBL4306057 0.73 HSD17B10 (0.62) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28942834 0.71 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28942809 0.71 CYP1B1 (0.52) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL30149981 0.71 CYP1B1 (0.52) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL13758333 0.70 MAPK1 (0.42) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28807883 0.70 KMT2A (0.59) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29693807 0.70 KMT2A (0.59) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A

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
CN-116217602-A Synthesis and application of fluorescent probe for simultaneously distinguishing hydrogen peroxide and glutathione 湘潭大学 2023-06-06 — — CN claimed
CN-116217602-A Synthesis and application of fluorescent probe for simultaneously distinguishing hydrogen peroxide and glutathione 湘潭大学 2023-06-06 — — CN disclosed
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