SCHEMBL8808397

SCHEMBL8808397

O=[N+]([O-])c1cc(Br)c(OCc2ccccc2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.60
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.48
CNR1 P21554 1/20 0.47
ACHE P22303 1/20 0.47
CNR2 P34972 1/20 0.47
CYP19A1 P11511 6/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
PIN1 Q13526 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSP90AA1 P07900 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL4659661 0.90 MAPT (0.51) MAPTLMNATHRATHRBMEN1
SCHEMBL30466057 0.90 MAPT (0.51) MAPTLMNATHRATHRBMEN1
SCHEMBL2814768 0.84 MAPT (0.50) MAPTLMNAMEN1KMT2ACNR1
SCHEMBL9388459 0.83 MEN1 (0.58) MAPTLMNAMEN1KMT2ACYP19A1
SCHEMBL2877669 0.82 MEN1 (0.65) MAPTMEN1KMT2APOLBCNR1
SCHEMBL31071620 0.82 MEN1 (0.65) MAPTMEN1KMT2APOLBCNR1
SCHEMBL31440585 0.81 MAPT (0.53) MAPTLMNAMEN1KMT2ACNR1
SCHEMBL2419677 0.81 MAPT (0.50) MAPTLMNAMEN1KMT2ACNR1
SCHEMBL29831476 0.80 PIN1 (0.50) MAPTLMNAMEN1KMT2APOLB
SCHEMBL18272220 0.79 IDO1 (0.53) MAPTLMNAMEN1KMT2A

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-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed