SCHEMBL31565292

SCHEMBL31565292

O=C(Nc1cccc2cccnc12)c1cc(N2CC(F)(F)C2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KDR P35968 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ PLEC Q15149 1/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL31565297 0.92 ALDH1A1 (0.48) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565305 0.90 ALDH1A1 (0.47) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565194 0.90 HTT (0.50) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565227 0.88 HPGD (0.56) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565265 0.88 MEN1 (0.51) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565241 0.86 HTT (0.55) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565242 0.85 TNKS (0.53) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565262 0.85 ALDH1A1 (0.53) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565230 0.85 TNKS (0.55) HTTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL31565310 0.85 HTT (0.54) HTTSMN1; SMN2ALDH1A1HPGDMEN1

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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