SCHEMBL29135189

SCHEMBL29135189

O=C(Nc1ccc(Cl)c(Cl)c1)N1N=CCC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ POLB P06746 1/20 0.76
▸ RIPK1 Q13546 11/20 0.75
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ GAA P10253 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL30679210 1.00 MAPT (1.00) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL29135188 1.00 MAPT (1.00) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL30679211 1.00 MAPT (1.00) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5527901 0.85 POLB (0.82) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL23800951 0.79 RIPK1 (0.65) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL23800957 0.78 RIPK1 (0.71) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9378251 0.77 RIPK1 (0.68) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL23808092 0.75 RIPK1 (0.65) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9676475 0.74 POLB (0.59) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL23830679 0.73 RIPK1 (0.69) ALDH1A1POLBRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304110-A Compound and preparation method and application thereof 宁夏医科大学 2023-12-29 — — CN claimed
CN-117304110-A Compound and preparation method and application thereof 宁夏医科大学 2023-12-29 — — CN disclosed
CN-117304110-A Compound and preparation method and application thereof 宁夏医科大学 2023-12-29 — — CN disclosed
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