SCHEMBL9101047

SCHEMBL9101047

c1ccc(C2c3ccccc3-c3ccccc32)c(Sc2ccccc2C2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
GPR3 P46089 2/20 0.38
CYP19A1 P11511 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4022049 0.70 HTR2A (0.46) HTR2AGPR3CA1CA2HDAC3
SCHEMBL2594422 0.70 ALDH1A1 (0.50) HTR2AGPR3ADRA2AADRA1AALDH1A1
SCHEMBL3630933 0.70 ALDH1A1 (0.52) HTR2AGPR3CA1CA2HDAC3
SCHEMBL29116619 0.69 HTR2A (0.50) HTR2AGPR3HDAC3HDAC4HDAC7
SCHEMBL28773429 0.68 KDM1A (0.50) HTR2AGPR3CYP19A1MEN1KMT2A
SCHEMBL28460847 0.68 ALDH1A1 (0.48) HTR2AGPR3ALDH1A1MAPK1
SCHEMBL29945705 0.68 GPR3 (0.50) HTR2AGPR3ACHECYP3A4
SCHEMBL382854 0.68 MEN1 (0.46) HTR2AGPR3CA1CA2HDAC3
SCHEMBL1093485 0.68 HTR2C (0.38) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL8840921 0.68 ALDH1A1 (0.48) HTR2AGPR3CA1CA2HDAC3

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-8192590-B1 Microwave-assisted formation of sulfonium photoacid generators UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-05 US disclosed