SCHEMBL31477451

SCHEMBL31477451

O=C(O)N1CCNc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDH1 O75874 11/20 0.38
MYC P01106 1/20 0.36
AVPR1A P37288 1/20 0.36
GPR6 P46095 1/20 0.36
ALOX5 P09917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL1601639 0.85 NOS1 (0.53) NOS1ALDH1A1AVPR1AGPR6
SCHEMBL3663893 0.75 AVPR1A (0.56) GAAALDH1A1AVPR1AGPR6
SCHEMBL29941296 0.75 AVPR1A (0.56) GAAALDH1A1AVPR1AGPR6
SCHEMBL29171392 0.74 NNMT (0.39) NOS1GAAALDH1A1GPR6
SCHEMBL288069 0.73 AKT1 (0.44) ALDH1A1MYCHTR2C
SCHEMBL517896 0.73 HTR2A (0.42) ALDH1A1ALOX5HTR2AHTR2CSLC6A4
SCHEMBL17475922 0.72 IDH1 (0.41) IDH1
SCHEMBL725593 0.72 IDH1 (0.40) IDH1
SCHEMBL31492896 0.71 GAA (0.43) GAAALDH1A1AVPR1A
SCHEMBL27742432 0.71 LMNA (0.43) ALDH1A1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed