SCHEMBL11075503

SCHEMBL11075503

COc1cc(Br)cc([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
FAAH O00519 1/20 0.47
CNR2 P34972 1/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
ABCB1 P08183 2/20 0.43
CYP19A1 P11511 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
SCHEMBL11067298 0.86 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BCTSV
SCHEMBL11068410 0.85 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BCTSV
SCHEMBL31091843 0.82 PTGES (0.48) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL5241194 0.82 MAPT (0.48) HTR1AADRA1DADRA1AADRA1BCTSV
SCHEMBL13851053 0.81 LMNA (0.50) HTR1AADRA1DADRA1AADRA1BCTSV
SCHEMBL2088203 0.80 TUBB4A (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL1944404 0.80 POLB (0.46) HTR1AADRA1DADRA1AADRA1BCTSV
SCHEMBL30501940 0.80 POLB (0.46) HTR1AADRA1DADRA1AADRA1BCTSV
SCHEMBL21071296 0.80 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BCTSV
SCHEMBL16427372 0.80 MEN1 (0.55) HTR1AADRA1DADRA1AADRA1BCTSV

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
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed