SCHEMBL27600592

SCHEMBL27600592

CCOC(=O)C(N)Cc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 9/20 0.40
▸ GAA P10253 2/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 2/20 0.36

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
SCHEMBL27583164 0.85 LMNA (0.42) L3MBTL1ALDH1A1GAACACNA1CRAB9A
SCHEMBL27600593 0.82 SMN1; SMN2 (0.38) L3MBTL1ALDH1A1GAACACNA1CSMN1; SMN2
SCHEMBL27600648 0.82 ALDH1A1 (0.41) L3MBTL1ALDH1A1GAACACNA1CRAB9A
SCHEMBL8529543 0.79 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL8529545 0.79 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL1715464 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAACACNA1CRAB9A
SCHEMBL28749966 0.75 ALDH1A1 (0.43) L3MBTL1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL1057425 0.75 SMN1; SMN2 (0.42) L3MBTL1ALDH1A1GAACACNA1CSMN1; SMN2
SCHEMBL27675955 0.74 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAACACNA1CRAB9A
SCHEMBL12460028 0.73 L3MBTL1 (0.43) L3MBTL1ALDH1A1GAACACNA1CRAB9A

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-1476446-A Benzodiazepine derivative ֮����ʽ���� 2004-02-18 — — CN disclosed
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