SCHEMBL28670139

SCHEMBL28670139

CCOC(=O)c1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CCR5 P51681 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KCNJ1 P48048 1/20 0.46

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
SCHEMBL28664810 0.86 CCR5 (0.55) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL10298034 0.83 EGFR (0.60) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3299225 0.78 CA12 (0.62) KMT2AALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL15306485 0.77 KMT2A (0.56) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL23117425 0.75 KCNJ1 (0.47) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL23117424 0.75 MAPT (0.47) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL5941247 0.74 KMT2A (0.62) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL15306483 0.74 ALDH1A1 (0.73) KMT2AALDH1A1HPGDMAPTLMNA
SCHEMBL10334067 0.73 KMT2A (0.71) KMT2AALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL1977674 0.73 KMT2A (0.71) KMT2AALDH1A1HPGDMAPTCYP1A2

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-113710242-A Compositions and methods for treating neurodegenerative disorders 吉恩特药业株式会社 2021-11-26 — — CN disclosed
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