SCHEMBL31232871

SCHEMBL31232871

CC(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.50
▸ POLB P06746 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ HTR1A P08908 2/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.43
▸ METAP1 P53582 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
SCHEMBL31232772 0.80 MAPT (0.57) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL29078390 0.78 ALDH1A1 (0.72) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL1646553 0.78 MAPT (0.59) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL30585250 0.78 LMNA (0.54) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL30585248 0.77 ALDH1A1 (0.61) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL5741339 0.75 SIRT6 (0.62) LMNAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL519813 0.72 IGF1R (0.65) LMNAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL519460 0.72 IGF1R (0.65) LMNAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL519461 0.72 IGF1R (0.65) LMNAALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL1127229 0.71 KMT2A (0.66) LMNAALDH1A1MAPTSMN1; SMN2POLB

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-2024233922-A2 PYRIDINE-PIPERAZINE-BASED SCAFFOLDS AS HIGHLY POTENT AND SELECTIVE NEUROLYSIN ACTIVATORS TEXAS TECH UNIVERSITY SYSTEM (US) 2024-11-14 — — WO disclosed
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