SCHEMBL28015173

SCHEMBL28015173

[CH2]c1c(-c2ccc(Cl)cc2)ccc2sc(C)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 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 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
APEX1 P27695 1/20 0.35
IKBKB O14920 1/20 0.34
LIMK1 P53667 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL28015709 0.84 ALOX5 (0.40) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28015124 0.83 KMT2A (0.39) HSD11B1RAB9ANPC1PTGS1PTGS2
SCHEMBL28015664 0.81 HSD11B1 (0.40) HSD11B1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL28015158 0.79 HSD11B1 (0.38) HSD11B1RAB9ANPC1PTGDR2CASP3
SCHEMBL28015735 0.78 RAB9A (0.37) HSD11B1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28015695 0.74 NPC1 (0.35) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL28015190 0.73 NPC1 (0.46) HSD11B1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL28015197 0.73 CASP3 (0.46) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12210686 0.73 HSD11B1 (0.38) HSD11B1RAB9ANPC1PTGS2SMN1; SMN2
SCHEMBL28015742 0.72 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2MAPTAPEX1

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