SCHEMBL31455191

SCHEMBL31455191

COC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
MAPT P10636 3/20 0.59
ALDH1A1 P00352 5/20 0.58
HTT P42858 3/20 0.57
KMT2A Q03164 5/20 0.56
TSHR P16473 1/20 0.52
NAMPT P43490 1/20 0.51
MEN1 O00255 4/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
EPHX2 P34913 1/20 0.49
POLB P06746 1/20 0.47
TRPV1 Q8NER1 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
SCHEMBL31455212 0.93 ALDH1A1 (0.68) GAAMAPTALDH1A1HTTKMT2A
SCHEMBL31455177 0.83 ALDH1A1 (0.64) GAAMAPTALDH1A1HTTKMT2A
SCHEMBL13841221 0.83 GAA (0.63) GAAMAPTALDH1A1HTTKMT2A
SCHEMBL14413881 0.78 GAA (0.67) GAAMAPTALDH1A1KMT2ANAMPT
SCHEMBL14711312 0.78 MAPT (0.85) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL14712107 0.78 MAPT (0.85) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL28813844 0.77 GAA (0.85) GAAMAPTALDH1A1HTTKMT2A
SCHEMBL9435700 0.76 GAA (1.00) GAAALDH1A1KMT2AMEN1RAB9A
SCHEMBL31455642 0.76 ALDH1A1 (0.50) GAAMAPTALDH1A1HTTKMT2A
SCHEMBL8483965 0.76 MAPT (0.65) MAPTKMT2A

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed