SCHEMBL20870965

SCHEMBL20870965

CCC1(C)CC(S(=O)(=O)Cc2nc3ccccc3o2)=NO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
F2 P00734 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
SCHEMBL20870789 0.90 USP2 (0.41) NPSR1USP2MAPTRAB9ANPC1
SCHEMBL20870970 0.87 NPSR1 (0.44) NPSR1USP2MAPTRAB9ANPC1
SCHEMBL20870967 0.85 NAAA (0.38) MAPTLMNANAAA
SCHEMBL20870961 0.85 PIK3CD (0.35) MAPTLMNAGAASMN1; SMN2KMT2A
SCHEMBL20870960 0.77 PIK3CB (0.36) MAPTRAB9ANPC1LMNATP53
SCHEMBL20870788 0.76 MEN1 (0.38) NPSR1USP2MAPTRAB9ANPC1
SCHEMBL20870963 0.76 MEN1 (0.43) MAPTLMNAALOX15TP53SMN1; SMN2
SCHEMBL20870969 0.75 PIK3CD (0.35) LMNAKMT2AMEN1ALDH1A1HTT
SCHEMBL20870964 0.75 NAAA (0.36) MAPTLMNANAAA
SCHEMBL20870966 0.75 SMN1; SMN2 (0.37) MAPTRAB9ANPC1LMNAGAA

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
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed