SCHEMBL9758969

SCHEMBL9758969

CC(=O)c1nc(O)c2nc[nH]c2n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.32
SLC2A1 P11166 1/20 0.30
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL3630345 0.81 GDA (0.37) GDA
SCHEMBL887124 0.77 CYP1A2 (0.40) GDA
SCHEMBL11334542 0.74 LMNA (0.33) BCL2MCL1
Xanthine SCHEMBL918381 0.74 MEN1 (0.34) BCL2MCL1
Xanthine SCHEMBL9443796 0.74 MEN1 (0.34) BCL2MCL1
SCHEMBL377762 0.71 PDPK1 (0.33)
SCHEMBL16147017 0.71 XDH (0.36) BCL2MCL1
SCHEMBL16146681 0.71 LMNA (0.33) BCL2MCL1
Guanine SCHEMBL31714144 0.71 BRAF (0.38) GDA
SCHEMBL16146457 0.71 CSNK2A1 (0.36) BCL2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3086811-A None JP disclosed
CN-114994160-A Analysis method for detecting formaldehyde-treated protein/polypeptide/amino acid food/product 天津医科大学 2022-09-02 CN disclosed
JP-H0386811-A COSMETIC COMPOSITION UNILEVER NV 1991-04-11 JP disclosed