SCHEMBL28908108

SCHEMBL28908108

CCc1cc2ccc3ccccc3c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KIF11 P52732 2/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL14386720 0.80 CTSV (0.54) ALDH1A1HSD17B10HPGDMEN1USP2
SCHEMBL17345813 0.76 DAO (0.50) ALDH1A1HSD17B10HPGDKMT2AKDM4E
SCHEMBL12829820 0.76 DAO (0.50) ALDH1A1KDM4EPARP1MAPTDAO
SCHEMBL1720643 0.76 LOXL2 (0.68) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7915531 0.75 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDMEN1USP2
SCHEMBL24965737 0.74 DAO (0.49) ALDH1A1KDM4EPARP1MAPTDAO
SCHEMBL5675106 0.74 CA12 (0.46) ALDH1A1HSD17B10KDM4EPARP1LOXL2
SCHEMBL28190783 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDKDM4EHTT
Iodide SCHEMBL27218977 0.73 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDMEN1USP2
SCHEMBL108061 0.72 LOXL2 (0.64) ALDH1A1KDM4ELOXL2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457303-B Fluorescent compound and preparation method and application thereof 浙江海洋大学 2022-01-07 — — CN claimed
CN-112457303-A Fluorescent compound and preparation method and application thereof 浙江海洋大学 2021-03-09 — — CN claimed
CN-112457303-B Fluorescent compound and preparation method and application thereof 浙江海洋大学 2022-01-07 — — CN disclosed
CN-112666143-A Fluorescence detection method for alkaline phosphatase activity of environment 浙江海洋大学 2021-04-16 — — CN disclosed
CN-112457303-A Fluorescent compound and preparation method and application thereof 浙江海洋大学 2021-03-09 — — CN disclosed
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