SCHEMBL28548425

SCHEMBL28548425

CC(=O)Oc1ccc2onc(CBr)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
FLT3 P36888 1/20 0.43
CA2 P00918 2/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 6/20 0.41
GLA P06280 3/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAPDH P04406 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
SCHEMBL19141923 0.81 ACHE (0.47) NPC1MAPTPOLBTSHRRAB9A
SCHEMBL28554333 0.80 NPC1 (0.48) NPC1POLBCA12CA9FLT3
SCHEMBL20870968 0.73 CA2 (0.39) NPC1MAPTPOLBCA12CA9
SCHEMBL20870962 0.73 NPC1 (0.34) NPC1MAPTPOLBCA12CA9
Hydrochloric Acid SCHEMBL5617709 0.73 FLT3 (0.41) NPC1POLBCA12CA9FLT3
SCHEMBL9689456 0.72 MAPT (0.62) MAPTPOLBLMNATDP1
SCHEMBL14541242 0.72 CA12 (0.58) NPC1MAPTPOLBCA12CA9
SCHEMBL23218521 0.71 MAPT (0.41) MAPTPOLBCA12CA9CA2
SCHEMBL23115220 0.70 MAPT (0.68) MAPTPOLBTSHRLMNASMN1; SMN2
SCHEMBL11798029 0.69 MAPT (0.51) MAPTPOLBTSHRLMNASMN1; SMN2

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
CN-109574945-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed