SCHEMBL6591007

SCHEMBL6591007

CNC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
GLA P06280 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 7/20 0.51
TLR9 Q9NR96 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NTSR1 P30989 1/20 0.47

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
SCHEMBL6591011 1.00 MAPT (0.54) MAPTMEN1KMT2AGLAHTT
SCHEMBL7381862 0.95 ALDH1A1 (0.56) MAPTMEN1KMT2AGLAHTT
SCHEMBL7375198 0.93 MAPT (0.49) MAPTMEN1KMT2AGLAHTT
SCHEMBL6981759 0.86 TLR9 (0.53) MAPTMEN1KMT2AGLAHTT
SCHEMBL6981756 0.86 TLR9 (0.53) MAPTMEN1KMT2AGLAHTT
SCHEMBL6588014 0.85 ALDH1A1 (0.57) MAPTGLAHTTALDH1A1TLR9
SCHEMBL6588022 0.85 ALDH1A1 (0.57) MAPTGLAHTTALDH1A1TLR9
SCHEMBL8393177 0.82 TLR9 (0.51) MAPTMEN1KMT2AGLAHTT
SCHEMBL6980279 0.80 FDPS (0.51) MAPTMEN1KMT2AALDH1A1TLR9
SCHEMBL6980282 0.80 FDPS (0.51) MAPTMEN1KMT2AALDH1A1TLR9

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-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed