SCHEMBL28968979

SCHEMBL28968979

CCCCCCNC(=O)[C@@H](N)Cc1nnc(-c2ccc(C(=O)O)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 7/20 0.50
▸ CSNK2A1 P68400 7/20 0.50
▸ RARB P10826 5/20 0.49
▸ RARG P13631 1/20 0.49
▸ CSNK2B P67870 1/20 0.43
▸ RRM1 P23921 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RARA P10276 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ XIAP P98170 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL28968982 1.00 CSNK2A2 (0.50) CSNK2A2CSNK2A1RARBRARGCSNK2B
SCHEMBL25022268 0.90 MGLL (0.46) CSNK2A2CSNK2A1RARBRARGRRM1
SCHEMBL30306958 0.84 GRIA1 (0.49) CSNK2A2CSNK2A1RARBRARG
SCHEMBL28968916 0.84 GRIA1 (0.49) CSNK2A2CSNK2A1RARBRARG
SCHEMBL25022249 0.81 CSNK2A2 (0.44) CSNK2A2CSNK2A1RARBRARGCSNK2B
SCHEMBL28969088 0.78 HDAC8 (0.45) RARBRARGRRM1ALDH1A1DPP7
SCHEMBL28969078 0.78 HDAC8 (0.45) RARBRARGRRM1ALDH1A1DPP7
SCHEMBL10421798 0.78 RARB (0.61) CSNK2A2CSNK2A1RARBCSNK2BMEN1
SCHEMBL28968977 0.75 RARB (0.42) RARBRARGRRM1DPP7
SCHEMBL28968974 0.75 RARB (0.42) RARBRARGRRM1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
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