SCHEMBL31056351

SCHEMBL31056351

CCOC(=O)c1cc2cc(B(O)O)ccn2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30896072 0.85 DRD2 (0.47) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL21488621 0.82 GABRG2 (0.34) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL25887632 0.81 MAPT (0.48) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL25308572 0.80 MAPT (0.45) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL25306362 0.80 MAPT (0.47) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL20636709 0.78 KDM4E (0.50) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL4051803 0.78 TP53 (0.65) MAPTTP53KDM4EPOLBHSD17B10
SCHEMBL25308182 0.74 MAPT (0.43) DRD2DRD1DRD4HTR2ADRD3
SCHEMBL25023864 0.73 KDM4E (0.72) MAPTCYP1A2KDM4EPOLBKMT2A
SCHEMBL31056020 0.73 SMN1; SMN2 (0.44) KDM4EKMT2AHSD17B10GAALMNA

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed