SCHEMBL28766416

SCHEMBL28766416

O=CC1c2ccccc2C=NN1c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL28766401 0.79 ALDH1A1 (0.36) ALDH1A1MAPTKDM4E
SCHEMBL29089072 0.75 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL28766378 0.75 KDM4E (0.35) ALDH1A1MAPTKDM4EGAA
SCHEMBL28766421 0.74 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EGAA
SCHEMBL29089042 0.74 KDM4E (0.32) ALDH1A1KDM4EGAA
SCHEMBL28182028 0.72 MAPT (0.33) ALDH1A1MAPTKDM4E
SCHEMBL29089070 0.69 PSEN1 (0.32) MAPTKDM4E
SCHEMBL27640352 0.66 MGLL (0.39) PRKCZMGLLALDH1A1MAPTKDM4E
SCHEMBL27350580 0.63 MGLL (0.35) PRKCZMGLLALDH1A1MAPTKDM4E
SCHEMBL29018640 0.61 PRKCZ (0.38) PRKCZMGLLALDH1A1MAPTKDM4E

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-114560814-B Synthesis method of substituted 2, 3-naphthyridine ketone compound 天津理工大学 2023-10-20 — — CN disclosed
CN-114560814-A Synthesis method of substituted 2, 3-phthalazinone compound 天津理工大学 2022-05-31 — — CN disclosed
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