SCHEMBL11630581

SCHEMBL11630581

CCOC(=N)c1ccccc1OCC.F[B-](F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
KCNMA1 Q12791 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 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
SCHEMBL11628940 0.89 LMNA (0.42) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL11630789 0.88 LMNA (0.48) ALDH1A1HSD17B10L3MBTL1MAPTMAPK1
SCHEMBL11633426 0.88 HCRTR1 (0.48) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL11629846 0.84 RIPK1 (0.43) ALDH1A1HPGDHSD17B10TSHRMEN1
SCHEMBL4696206 0.81 TSHR (0.46) ALDH1A1HSD17B10L3MBTL1MAPTGAA
SCHEMBL10668614 0.81 MAPT (0.47) ALDH1A1HPGDL3MBTL1KDM4EMAPT
Hydrochloric Acid SCHEMBL4693594 0.79 MAPT (0.46) ALDH1A1HPGDL3MBTL1KDM4EMAPT
SCHEMBL11242713 0.78 TSHR (0.43) ALDH1A1HPGDHSD17B10MAPTTSHR
SCHEMBL973270 0.77 HCRTR1 (0.54) HCRTR1ALDH1A1HPGDHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL4673662 0.75 IRAK4 (0.50) ALDH1A1HSD17B10KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed
US-4031093-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1977-06-21 US disclosed