SCHEMBL11273191

SCHEMBL11273191

CCOC(=O)c1occ(-c2ccccc2)c(=O)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL3977049 0.91 ALDH1A1 (0.47) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL3977290 0.77 MAPT (0.50) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL3976144 0.75 PPARG (0.50) MAPTKMT2AMEN1MAOB
SCHEMBL3982536 0.75 TSHR (0.47) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL27569291 0.75 ALDH1A1 (0.57) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL4282758 0.74 CDC7 (0.48) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL3977434 0.74 KMT2A (0.47) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL3979225 0.74 MAPT (0.41) MAPTGAAALDH1A1KDM4ECYP1A2
SCHEMBL3978078 0.73 ALDH1A1 (0.51) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL3981475 0.73 GAA (0.45) MAPTGAAALDH1A1KDM4EKMT2A

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
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed