SCHEMBL28015666

SCHEMBL28015666

[CH2]c1ccc2sc(C)nc2c1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
THRB P10828 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
APEX1 P27695 1/20 0.33
GCGR P47871 1/20 0.33
PTGS1 P23219 1/20 0.33
MBNL1 Q9NR56 1/20 0.33
MEN1 O00255 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
SCHEMBL28015656 0.83 RAB9A (0.36) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL28015742 0.81 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL28015705 0.75 KDM4E (0.38) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL28015191 0.74 MAPK14 (0.37) ALDH1A1KDM4ERAB9ANPC1
SCHEMBL28015149 0.71 NPC1 (0.46) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL2623678 0.71 SMN1; SMN2 (0.61) ALDH1A1MAPTMAPK1KDM4ERAB9A
SCHEMBL28015158 0.71 HSD11B1 (0.38) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL28015180 0.70 KDM4E (0.41) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL2096848 0.69 HCRTR1 (0.40) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL2095462 0.69 MBNL1 (0.45) ALDH1A1MAPTKDM4ERAB9ANPC1

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