SCHEMBL27342829

SCHEMBL27342829

CN(C)c1c(Br)ccc2c1C(O)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
KMT2A Q03164 1/20 0.34
HTR2B P41595 5/20 0.33
HTR7 P34969 3/20 0.33
PGR P06401 1/20 0.33
SLC22A2 O15244 1/20 0.32
SLC22A3 O75751 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
POLB P06746 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL20123183 0.74 ALDH1A1 (0.39) GPR3KMT2AHTR2BHTR7HDAC3
SCHEMBL2362367 0.73 GPR3 (0.42) GPR3KMT2AHTR2BHTR7PGR
SCHEMBL27657483 0.73 ALDH1A1 (0.37) KMT2AHTR2BHTR7HDAC3HDAC4
SCHEMBL7183892 0.73 ALDH1A1 (0.39) GPR3KMT2AHTR2BHTR7HDAC3
SCHEMBL27716425 0.71 ALDH1A1 (0.39) HTR2BHTR7HDAC3HDAC4HDAC7
SCHEMBL5523779 0.69 PGR (0.44) GPR3KMT2AHTR2BHTR7PGR
SCHEMBL11783880 0.69 HTR2B (0.51) GPR3KMT2AHTR2BHTR7PGR
Water SCHEMBL27413384 0.67 HTR2B (0.50) GPR3KMT2AHTR2BHTR7PGR
SCHEMBL24730384 0.67 GABRA1 (0.41) KMT2AHTR2BHTR7PGRHDAC3
SCHEMBL5526151 0.67 PDK2 (0.50) GPR3KMT2AHTR2BHTR7PGR

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
CN-1059712-A Oxime carbonates as mycocide DU PONT (US) 1992-03-25 CN disclosed