SCHEMBL28280910

SCHEMBL28280910

c1ccc(CCCc2nc3ccccc3o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
NPC1 O15118 5/20 0.70
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.62
TP53 P04637 2/20 0.62
HTT P42858 1/20 0.62
GFER P55789 1/20 0.62
LOXL2 Q9Y4K0 1/20 0.62
LMNA P02545 1/20 0.59
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
DRD3 P35462 5/20 0.55
DRD2 P14416 4/20 0.55
DRD4 P21917 2/20 0.55
FAAH O00519 1/20 0.54

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
SCHEMBL30583226 0.97 NPC1 (0.70) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL9642061 0.91 MAPT (0.84) RAB9ANPC1MAPTSMN1; SMN2TP53
2-Phenethylbenzo[D]Oxazole SCHEMBL10582102 0.89 MAPT (0.81) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL11399187 0.87 MAPT (0.84) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL155002 0.83 MAPT (1.00) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL2986628 0.81 NPC1 (0.72) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL591905 0.81 RAB9A (0.72) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL7310017 0.81 MAPT (0.72) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL22871601 0.81 MAPT (0.72) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL5543729 0.81 MAPT (0.72) RAB9ANPC1MAPTSMN1; SMN2TP53

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
CN-109457268-A A kind of method of electro-catalysis benzamide compound synthesis benzoxazoles 福建医科大学 2019-03-12 CN disclosed
CN-109369555-A A kind of method of microwave radiation benzamide compound synthesis benzoxazoles in water phase 福建医科大学 2019-02-22 CN disclosed