SCHEMBL31546643

SCHEMBL31546643

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
GAA P10253 1/20 0.59
PKM P14618 1/20 0.59
LMNA P02545 3/20 0.59
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.52
MAPT P10636 3/20 0.52
GFER P55789 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL31546603 1.00 ALDH1A1 (0.62) ALDH1A1GAAPKMLMNAPOLB
SCHEMBL31546641 0.84 PPARG (0.52) ALDH1A1GAALMNAHPGDHSD17B10
SCHEMBL13761448 0.84 HTT (0.50) ALDH1A1GAAPKMLMNAPOLB
SCHEMBL10604781 0.84 ALDH1A1 (0.61) ALDH1A1GAAPKMLMNAPOLB
SCHEMBL10604775 0.84 ALDH1A1 (0.61) ALDH1A1GAAPKMLMNAPOLB
SCHEMBL7046881 0.82 MAPT (0.53) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL31546602 0.80 L3MBTL1 (0.54) ALDH1A1GAAPKMLMNAPOLB
SCHEMBL10763115 0.79 NPC1 (0.65) ALDH1A1GAALMNAPOLBSMN1; SMN2
SCHEMBL10763104 0.79 NPC1 (0.65) ALDH1A1GAALMNAPOLBSMN1; SMN2
SCHEMBL10768107 0.79 NPC1 (0.65) ALDH1A1GAALMNAPOLBSMN1; SMN2

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
CN-120000651-A Application of beta-carboline compounds in preparation of medicines for preventing and/or treating acute lung injury 中国人民解放军北部战区总医院 2025-05-16 CN disclosed
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