SCHEMBL6232685

SCHEMBL6232685

O=C(c1ccco1)N1CCN(c2ccc(N3CC(CNC(O)=S)OC3=O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR119 Q8TDV5 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
PTPN11 Q06124 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL6256776 0.94 F10 (0.49) F10L3MBTL1GPR119ALDH1A1HSD17B10
SCHEMBL29085031 0.91 F10 (0.49) F10L3MBTL1GPR119NPC1RAB9A
SCHEMBL6236460 0.91 F10 (0.49) F10L3MBTL1GPR119NPC1RAB9A
SCHEMBL6260349 0.86 F10 (0.48) F10L3MBTL1GPR119ALDH1A1LMNA
SCHEMBL6233491 0.84 F10 (0.55) F10
SCHEMBL6254889 0.84 F10 (0.45) F10RAB9AMAPTALDH1A1LMNA
SCHEMBL6237006 0.84 F10 (0.49) F10
SCHEMBL6233514 0.84 F10 (0.50) F10ALDH1A1SMN1; SMN2
SCHEMBL6239516 0.83 F10 (0.47) F10
SCHEMBL6260420 0.83 F10 (0.47) F10

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
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO claimed