SCHEMBL6002669

SCHEMBL6002669

C[C](C)OC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
EPHX1 P07099 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL6421168 0.88 NAPRT (0.59) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL2244779 0.87 SMN1; SMN2 (0.61) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL12606901 0.84 NAPRT (0.55) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL28216490 0.82 HSD17B10 (0.52) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL282531 0.80 SMN1; SMN2 (0.71) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL15638381 0.80 RAB9A (0.54) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL28049155 0.80 NPC1 (0.59) HSD17B10SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL23240942 0.79 SMN1; SMN2 (0.52) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL9065932 0.79 SMN1; SMN2 (0.52) NAPRTHSD17B10SMN1; SMN2MAPTGAA
SCHEMBL11717669 0.79 SMN1; SMN2 (0.52) NAPRTHSD17B10SMN1; SMN2MAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed