SCHEMBL28813055

SCHEMBL28813055

CCOC(=O)C(CC)(C(=O)OCC)C(=O)Oc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ MAPT P10636 8/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MITF O75030 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GALR2 O43603 1/20 0.33

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
SCHEMBL2565825 0.81 GAA (0.35) KMT2AGAAMAPTSMN1; SMN2MEN1
SCHEMBL751950 0.77 LMNA (0.41) ALDH1A1KMT2AGAAMAPTNPC1
SCHEMBL30046816 0.77 LMNA (0.41) ALDH1A1KMT2AGAAMAPTNPC1
SCHEMBL28813054 0.77 ALDH1A1 (0.39) ALDH1A1THRBKMT2AGAAMAPT
SCHEMBL30276192 0.76 THRB (0.40) ALDH1A1THRBKMT2AGAAMAPT
SCHEMBL26110877 0.76 THRB (0.40) ALDH1A1THRBKMT2AGAAMAPT
SCHEMBL858319 0.76 MAPT (0.42) ALDH1A1KMT2AGAAMAPTNPC1
SCHEMBL25260893 0.75 L3MBTL1 (0.39) ALDH1A1KMT2AGAAMAPTNPC1
SCHEMBL28995543 0.75 MAPT (0.41) ALDH1A1KMT2AGAAMAPTNPC1
SCHEMBL28736319 0.73 MAPT (0.37) ALDH1A1KMT2AGAAMAPTCRHBP

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-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 — — CN disclosed
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