SCHEMBL28159745

SCHEMBL28159745

C=CC(=O)NOC(=O)c1ccccc1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.59
▸ MAPT P10636 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ TGM2 P21980 2/20 0.47
▸ TSHR P16473 3/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ F2 P00734 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ TDP1 Q9NUW8 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL27653304 0.98 KMT2A (0.61) KMT2AMAPTALDH1A1POLBTGM2
SCHEMBL4907232 0.78 ALDH1A1 (0.76) KMT2AMAPTALDH1A1POLBTSHR
SCHEMBL22361659 0.77 KMT2A (0.58) KMT2AMAPTALDH1A1POLBTSHR
SCHEMBL11146599 0.77 ALDH1A1 (0.96) KMT2AMAPTALDH1A1POLBTSHR
SCHEMBL28842278 0.76 LMNA (0.53) KMT2AMAPTALDH1A1TGM2TSHR
SCHEMBL6269137 0.75 ALDH1A1 (0.70) KMT2AMAPTALDH1A1POLBTSHR
SCHEMBL29102460 0.75 ALDH1A1 (0.70) KMT2AMAPTALDH1A1POLBTSHR
SCHEMBL5809526 0.75 ALDH1A1 (1.00) KMT2AMAPTALDH1A1POLBTSHR
SCHEMBL28759378 0.75 NPC1 (0.44) KMT2AALDH1A1TGM2TP53L3MBTL1
Benzoic Acid SCHEMBL28545661 0.74 TSHR (0.48) KMT2AMAPTALDH1A1POLBTGM2

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-105504161-B A kind of Anionic High-molecular Flocculant and preparation method thereof 陕西科技大学 2017-06-20 — — CN claimed
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