SCHEMBL24991908

SCHEMBL24991908

CN(CCO)c1ccc(C=O)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
CYBB P04839 4/20 0.38
NOX4 Q9NPH5 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAP4K4 O95819 2/20 0.38
APP P05067 2/20 0.36
NOX1 Q9Y5S8 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PRKDC P78527 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
NTSR1 P30989 1/20 0.33
ALDH1A3 P47895 1/20 0.33
BRD4 O60885 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
SCHEMBL24991896 0.83 CYBB (0.39) EGFRCYBBNOX4L3MBTL1MAP4K4
SCHEMBL5147111 0.83 CYBB (0.49) EGFRCYBBNOX4L3MBTL1MAP4K4
SCHEMBL22295813 0.82 APP (0.43) EGFRCYBBNOX4L3MBTL1MAP4K4
SCHEMBL24991974 0.81 CYBB (0.38) EGFRCYBBNOX4L3MBTL1MAP4K4
SCHEMBL26562502 0.80 CYBB (0.40) EGFRCYBBNOX4L3MBTL1MAP4K4
SCHEMBL24287567 0.79 ALDH1A1 (0.60) CYBBNOX4L3MBTL1MAPTLMNA
SCHEMBL28247934 0.78 CYP2A6 (0.47) EGFRL3MBTL1APPLMNAALDH1A1
SCHEMBL4959729 0.78 CYP2A6 (0.47) EGFRL3MBTL1APPLMNAALDH1A1
SCHEMBL4313460 0.77 ALDH1A1 (0.52) MAPTALDH1A1PRKDCKDM4E
SCHEMBL29021280 0.76 ALDH1A1 (0.43) EGFRCYBBNOX4L3MBTL1APP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011657-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
WO-2023011658-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed