SCHEMBL11046067

SCHEMBL11046067

O=CCc1c(OCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
SGMS2 Q8NHU3 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ATM Q13315 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL7019519 0.84 MAPT (0.55) HTR1AADRA1DADRA1AADRA1BSGMS2
SCHEMBL16148965 0.82 KMT2A (0.46) KDM4ENPC1RAB9ARECQLMEN1
SCHEMBL11145780 0.81 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BSGMS2
SCHEMBL2305236 0.81 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BSGMS2
SCHEMBL30015078 0.81 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BSGMS2
Bicarbonate SCHEMBL27356776 0.80 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BSGMS2
SCHEMBL8406051 0.80 SGMS2 (0.54) HTR1AADRA1DADRA1AADRA1BSGMS2
SCHEMBL4290434 0.80 POLB (0.55) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL11048268 0.79 ALDH1A1 (0.57) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL9528862 0.79 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BSGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US claimed
US-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed