SCHEMBL28350492

SCHEMBL28350492

CCN(CC)c1ccc2c(Cl)c(C(=O)O)c(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.67
▸ KDM4E B2RXH2 9/20 0.67
▸ ATM Q13315 9/20 0.67
▸ MEN1 O00255 8/20 0.67
▸ KMT2A Q03164 8/20 0.67
▸ MAPT P10636 8/20 0.67
▸ GLA P06280 6/20 0.67
▸ HSD17B10 Q99714 6/20 0.67
▸ L3MBTL1 Q9Y468 6/20 0.67
▸ TDP1 Q9NUW8 5/20 0.67
▸ HTT P42858 5/20 0.67
▸ CASP1 P29466 5/20 0.67
▸ CASP7 P55210 5/20 0.67
▸ CYP3A4 P08684 3/20 0.67
▸ CYP1A2 P05177 3/20 0.67
▸ CYP2C19 P33261 3/20 0.67
▸ NPSR1 Q6W5P4 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ ALOX15 P16050 2/20 0.67

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
SCHEMBL592818 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL29415447 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL18038410 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL3154854 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL13432100 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL22261573 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL24589860 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL2195842 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL29493311 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL28473974 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EATMMEN1KMT2A

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-108727326-B Fluorescent probe for identifying cysteine and glutathione and preparation method and application thereof 南宁师范大学 2021-12-21 — — CN claimed
CN-110669043-A Fluorescent probe for identifying cysteine, homocysteine, glutathione and hydrogen sulfide and preparation method thereof 南宁师范大学 2020-01-10 — — CN claimed
CN-108727326-B Fluorescent probe for identifying cysteine and glutathione and preparation method and application thereof 南宁师范大学 2021-12-21 — — CN disclosed
CN-108727326-B Fluorescent probe for identifying cysteine and glutathione and preparation method and application thereof 南宁师范大学 2021-12-21 — — CN disclosed
CN-110669043-A Fluorescent probe for identifying cysteine, homocysteine, glutathione and hydrogen sulfide and preparation method thereof 南宁师范大学 2020-01-10 — — CN disclosed
CN-110669043-A Fluorescent probe for identifying cysteine, homocysteine, glutathione and hydrogen sulfide and preparation method thereof 南宁师范大学 2020-01-10 — — CN disclosed
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