SCHEMBL31546661

SCHEMBL31546661

CC(NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KCNK3 O14649 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ MTOR P42345 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ AR P10275 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.41

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
SCHEMBL31546660 0.89 LMNA (0.63) KMT2AMAPTLMNAMEN1HTT
SCHEMBL15664050 0.77 ALDH1A1 (0.51) KMT2ALMNAMEN1ALDH1A1MTOR
SCHEMBL2568462 0.77 MAPT (0.58) KMT2AMAPTLMNAMEN1HTT
SCHEMBL27656657 0.76 LMNA (0.64) KMT2AMAPTLMNAMEN1HTT
SCHEMBL27656560 0.76 LMNA (0.64) KMT2AMAPTLMNAMEN1HTT
SCHEMBL28034240 0.75 PGR (0.51) KMT2AMAPTLMNAMEN1HTT
SCHEMBL31546658 0.74 MAPK1 (0.45) KMT2AMAPTLMNAMEN1NPC1
SCHEMBL17192840 0.74 MAPT (0.53) KMT2AMAPTLMNAMEN1HTT
SCHEMBL28257375 0.74 LMNA (0.61) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL28411034 0.73 LMNA (0.61) KMT2AMAPTLMNAMEN1ALDH1A1

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
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