SCHEMBL8639617

SCHEMBL8639617

CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL7378108 1.00 ATM (0.55) ATMGAAMAPTMAPK1LMNA
SCHEMBL7375764 0.91 ATM (0.50) ATMGAAMAPTMAPK1LMNA
SCHEMBL7376425 0.86 ATM (0.49) ATMMAPTMAPK1LMNAALDH1A1
SCHEMBL10757437 0.83 ATM (0.51) ATMMAPK1HSD17B10ALDH1A1DRD2
SCHEMBL10757432 0.83 ATM (0.51) ATMMAPK1HSD17B10ALDH1A1DRD2
SCHEMBL7370954 0.82 ATM (0.48) ATMMAPK1LMNAALDH1A1MEN1
SCHEMBL10757937 0.82 ATM (0.50) ATMGAAMAPTLMNAHSD17B10
SCHEMBL10757946 0.82 ATM (0.50) ATMGAAMAPTLMNAHSD17B10
SCHEMBL10757943 0.82 ATM (0.50) ATMGAAMAPTLMNAHSD17B10
SCHEMBL8635110 0.80 ATM (0.60) ATMGAAMAPTMAPK1LMNA

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-5773463-A DECALCIFICATION OF BRAIN DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-30 US disclosed