SCHEMBL8637798

SCHEMBL8637798

CC(C)(O)CC(=O)Nc1cccc2nccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL17778606 0.82 MAPT (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9850441 0.80 ALDH1A1 (0.67) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL17776539 0.77 MEN1 (0.64) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL30660950 0.76 MAPT (0.61) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL19699516 0.74 MAPT (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL31565319 0.72 HDAC6 (0.59) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14360604 0.72 HDAC6 (0.59) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL17755003 0.70 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8473366 0.69 MAPT (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL31565248 0.69 MEN1 (0.51) MAPTALDH1A1MEN1KMT2APOLB

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-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed