SCHEMBL6239753

SCHEMBL6239753

O=C1OC(CNC(O)=S)CN1c1ccc(N2CCN(C(=S)c3ccc([N+](=O)[O-])o3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.45
MAPT P10636 5/20 0.38
MITF O75030 4/20 0.38
PAX8 Q06710 4/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ALDH1A1 P00352 2/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6254889 0.94 F10 (0.45) F10MAPTMITFPAX8POLB
SCHEMBL6275159 0.93 F10 (0.44) F10MAPTMITFPAX8POLB
SCHEMBL7127433 0.87 F10 (0.43) F10MAPTPOLBITGB3ITGA2B
SCHEMBL6824189 0.87 F10 (0.43) F10MAPTPOLBITGB3ITGA2B
SCHEMBL7127429 0.87 F10 (0.43) F10MAPTPOLBITGB3ITGA2B
SCHEMBL6255771 0.85 F10 (0.46) F10MITFPOLBMEN1KMT2A
SCHEMBL6256776 0.85 F10 (0.49) F10ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL6259036 0.83 F10 (0.42) F10MEN1KMT2AITGB3ITGA2B
SCHEMBL6258381 0.82 F10 (0.44) F10ITGB3ITGA2B
SCHEMBL6233749 0.82 F10 (0.53) F10ITGB3ITGA2B

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