SCHEMBL31546641

SCHEMBL31546641

CC[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.52
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4540399 0.86 SMN1; SMN2 (0.54) PPARGALDH1A1HTTHPGDGAA
SCHEMBL31546603 0.84 ALDH1A1 (0.62) ALDH1A1HTTHPGDGAALMNA
SCHEMBL31546643 0.84 ALDH1A1 (0.62) ALDH1A1HTTHPGDGAALMNA
SCHEMBL8037983 0.82 MAPT (0.61) ALDH1A1HTTHPGDGAA
SCHEMBL4540776 0.81 MAPT (0.63)
SCHEMBL31546600 0.80 ALDH1A1 (0.58) PPARGALDH1A1HTTHPGD
SCHEMBL13761448 0.79 HTT (0.50) ALDH1A1HTTGAALMNATSHR
SCHEMBL8039661 0.78 MAPT (0.50) PPARGALDH1A1HPGDGAA
SCHEMBL8041848 0.78 MAPT (0.56) PPARG
SCHEMBL8034144 0.78 MAPT (0.66) PPARGHTT

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-119899184-A Beta-carboline compound, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2025-04-29 CN disclosed