SCHEMBL28660595

SCHEMBL28660595

CC(=O)N1c2ccc(Cl)cc2C(C)(C)C1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4A O75164 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
TSHR P16473 1/20 0.41
FSHR P23945 1/20 0.41
HSD17B3 P37058 4/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL29972130 0.76 KMT2A (0.54) NOTUMSMN1; SMN2MAPTKMT2APOLB
SCHEMBL10341128 0.76 KMT2A (0.54) NOTUMSMN1; SMN2MAPTKMT2APOLB
SCHEMBL30274517 0.75 KMT2A (0.38) NOTUMSMN1; SMN2MAPTKMT2APOLB
Iodide SCHEMBL10424612 0.74 KMT2A (0.52) NOTUMSMN1; SMN2MAPTKMT2APOLB
SCHEMBL11515580 0.74 KMT2A (0.37) NOTUMSMN1; SMN2MAPTKMT2APOLB
Iodide SCHEMBL25336370 0.73 TLR8 (0.42) NOTUMSMN1; SMN2MAPTKMT2APOLB
Iodide SCHEMBL30510665 0.73 TLR8 (0.42) NOTUMSMN1; SMN2MAPTKMT2APOLB
SCHEMBL28980139 0.71 SIGMAR1 (0.44) SMN1; SMN2MAPTALDH1A1KDM4EDRD2
SCHEMBL30242135 0.71 SIGMAR1 (0.44) SMN1; SMN2MAPTALDH1A1KDM4EDRD2
SCHEMBL30242141 0.70 P2RX7 (0.39) SMN1; SMN2MAPTKMT2APOLBMEN1

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
CN-109467551-B Preparation process of coumarin fluorescent probe molecule for selectively detecting GSH 曲靖师范学院 2021-12-14 CN disclosed