SCHEMBL31546658

SCHEMBL31546658

C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1F)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 12/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL31546624 0.90 LMNA (0.54) SMN1; SMN2LMNAMEN1MAPTKMT2A
SCHEMBL31546645 0.89 SMN1; SMN2 (0.43) MAPK1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL19616169 0.75 HTT (0.52) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL16679575 0.74 MAPK1 (0.49) MAPK1MAPK3ROCK2ROCK1
SCHEMBL16679576 0.74 MAPK1 (0.49) MAPK1MAPK3ROCK2ROCK1
SCHEMBL31546661 0.74 KMT2A (0.51) MAPK1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL28257953 0.73 MAPK1 (0.46) MAPK1MEN1KMT2AMAPK3
SCHEMBL31546660 0.72 LMNA (0.63) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL31546602 0.72 L3MBTL1 (0.54) SMN1; SMN2LMNAMEN1MAPTKMT2A
SCHEMBL28076472 0.72 MAPK1 (0.47) MAPK1LMNAMAPK3ROCK2ROCK1

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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