SCHEMBL28015679

SCHEMBL28015679

[CH2]c1nc2cc(C)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
DYRK1A Q13627 1/20 0.50
RAB9A P51151 6/20 0.43
TDP1 Q9NUW8 1/20 0.42
NQO2 P16083 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 5/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL27365085 0.84 RAB9A (0.61) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL92781 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MAPTTP53DYRK1ARAB9A
Bromide SCHEMBL10996884 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL9305718 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL12262 0.76 MAPT (0.72) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL30189802 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL2749398 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL11549599 0.76 DYRK1A (0.54) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL29572251 0.76 MAPT (0.72) SMN1; SMN2MAPTTP53DYRK1ARAB9A
SCHEMBL799569 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53DYRK1ARAB9A

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-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed