SCHEMBL28015158

SCHEMBL28015158

[CH2]c1ccc2sc(C)nc2c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
IKBKB O14920 1/20 0.33
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL28015710 0.83 IKBKE (0.39) HSD11B1RAB9ANPC1PTGS1PTGS2
SCHEMBL28015173 0.79 HSD11B1 (0.38) HSD11B1RAB9ANPC1PTGDR2CASP3
SCHEMBL28015656 0.77 RAB9A (0.36) HSD11B1RAB9ANPC1PTGS1PTGS2
SCHEMBL28015705 0.74 KDM4E (0.38) RAB9ANPC1MAPTKDM4EHTT
SCHEMBL28015149 0.73 NPC1 (0.46) HSD11B1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL14776840 0.71 IKBKB (0.37) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28015666 0.71 ALDH1A1 (0.37) RAB9ANPC1PTGS1SMN1; SMN2MAPT
SCHEMBL12930243 0.70 NPC1 (0.57) HSD11B1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28015664 0.69 HSD11B1 (0.40) HSD11B1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18856431 0.68 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53

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