SCHEMBL31310145

SCHEMBL31310145

CC(=O)c1ncc([N+](=O)[O-])cc1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL29126475 0.76 ALDH1A1 (0.44) GAACYP1A2MAPK1ALDH1A1MAPT
SCHEMBL914646 0.76 GAA (0.54) GAACYP1A2ALDH1A1MAPTKMT2A
SCHEMBL28563085 0.76 MAPT (0.44) GAACYP1A2ALDH1A1MAPTCYP3A4
SCHEMBL2405141 0.75 ALDH1A1 (0.47) CYP1A2MAPK1ALDH1A1MAPTCYP3A4
SCHEMBL1230582 0.75 ALDH1A1 (0.43) GAAMAPK1ALDH1A1MAPTCYP3A4
SCHEMBL31310325 0.75 MAPT (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2GLA
SCHEMBL30186060 0.74 ALDH1A1 (0.46) MAPK1ALDH1A1MAPTCYP3A4KMT2A
SCHEMBL22770825 0.74 HTT (0.43) ALDH1A1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL2404855 0.74 ALDH1A1 (0.46) MAPK1ALDH1A1MAPTCYP3A4KMT2A
SCHEMBL20607733 0.73 MAPT (0.39) GAACYP1A2ALDH1A1MAPTKMT2A

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-119264113-A GSPT1 degradation agent and application thereof 江苏运动健康研究院 2025-01-07 — — CN disclosed
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