SCHEMBL28272233

SCHEMBL28272233

O=C(NC(C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MIF P14174 1/20 0.47
▸ S1PR4 O95977 2/20 0.46
▸ S1PR3 Q99500 2/20 0.46
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC6A9 P48067 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX12 P18054 1/20 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
SCHEMBL28270641 0.90 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28270695 0.87 ALDH1A1 (0.49) TP53ALDH1A1MEN1KMT2ANPC1
SCHEMBL28272245 0.82 ALDH1A1 (0.56) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1309285 0.74 ALDH1A1 (0.52) TP53ALDH1A1MEN1KMT2ANPC1
SCHEMBL15974646 0.74 MDM2 (0.49) S1PR4S1PR3SLC6A9SLC6A5HTT
SCHEMBL14595547 0.73 LMNA (0.56) ALDH1A1KMT2ANPC1SMN1; SMN2S1PR4
SCHEMBL24645190 0.71 S1PR3 (0.53) ALDH1A1MEN1KMT2AS1PR4S1PR3
SCHEMBL28272227 0.70 ANPEP (0.43) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6203592 0.70 MDM2 (0.62) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL17391567 0.70 S1PR3 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2S1PR4

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-109096138-A A method of synthesis α-amido ketone derivatives 郑州轻工业学院 2018-12-28 — — CN disclosed
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