SCHEMBL31565257

SCHEMBL31565257

O=C(Nc1cccc2cccnc12)c1cc(N2CCC[C@@H](O)C2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TNKS O95271 2/20 0.47
▸ TNKS2 Q9H2K2 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KDR P35968 5/20 0.45
▸ GAA P10253 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ PLEC Q15149 1/20 0.44
▸ SLC40A1 Q9NP59 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL31565280 0.94 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565217 0.94 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565272 0.90 TNKS (0.54) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565307 0.88 HTT (0.51) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565241 0.88 HTT (0.55) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565310 0.87 HTT (0.54) ALDH1A1HPGDHTTSMN1; SMN2L3MBTL1
SCHEMBL31565230 0.87 TNKS (0.55) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565181 0.84 ALDH1A1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565267 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2TNKS
SCHEMBL31565242 0.83 TNKS (0.53) ALDH1A1HPGDHTTSMN1; SMN2TNKS

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
WO-2025091127-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2025-05-08 — — WO disclosed
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