SCHEMBL6015684

SCHEMBL6015684

CC(OCn1cc(C=O)c2cccnc21)OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.39
SNCA P37840 3/20 0.39
ENPP2 Q13822 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ELANE P08246 3/20 0.37
ALDH1A1 P00352 3/20 0.36
CFD P00746 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDE4A P27815 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR3A P46098 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL6015972 0.81 APP (0.40) APPSNCAENPP2NPC1RAB9A
SCHEMBL7617430 0.80 ELANE (0.40) APPSNCANPC1RAB9AELANE
SCHEMBL12252047 0.70 APP (0.65) APPSNCAENPP2ALDH1A1TDP1
SCHEMBL6015687 0.69 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL15546774 0.69 POLB (0.39) APPSNCANPC1RAB9AALDH1A1
SCHEMBL31516345 0.69 CNR1 (0.44) APPSNCANPC1RAB9AALDH1A1
SCHEMBL19410208 0.68 ALDH1A1 (0.46) APPSNCAENPP2NPC1RAB9A
SCHEMBL6087986 0.67 CNR1 (0.44) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL89569 0.66 GSK3B (0.53) NPC1RAB9AALDH1A1TDP1MAPT
SCHEMBL7619956 0.66 KMT2A (0.40) APPSNCANPC1RAB9AELANE

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-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed