SCHEMBL6254889

SCHEMBL6254889

O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc(N3CC(CNC(O)=S)OC3=O)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
MITF O75030 5/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
PAX8 Q06710 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC2A1 P11166 6/20 0.41
CHRNA4 P43681 1/20 0.40
PKM P14618 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6239753 0.94 F10 (0.45) F10MITFKMT2APOLBMEN1
SCHEMBL6255771 0.91 F10 (0.46) F10MITFKMT2APOLBMEN1
SCHEMBL6275159 0.87 F10 (0.44) F10MITFKMT2APOLBMEN1
SCHEMBL6824189 0.85 F10 (0.43) F10POLBMAPTALDH1A1
SCHEMBL7127433 0.85 F10 (0.43) F10POLBMAPTALDH1A1
SCHEMBL7127429 0.85 F10 (0.43) F10POLBMAPTALDH1A1
SCHEMBL6232685 0.84 F10 (0.49) F10MAPTALDH1A1LMNARAB9A
SCHEMBL3394874 0.84 MAOB (0.53) F10LMNA
SCHEMBL6233491 0.82 F10 (0.55) F10
SCHEMBL6258381 0.81 F10 (0.44) 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 2 patents. 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
WO-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO disclosed