SCHEMBL8075462

SCHEMBL8075462

CC1(N)C=Cc2ccccc2C1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 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
SCHEMBL6454168 0.81 HTR2A (0.33) HTR2A
SCHEMBL10904956 0.75
SCHEMBL995535 0.75 HTR2A (0.37) HTR2ABRD4CCL2
SCHEMBL10445171 0.73 HTR2A (0.38) HTR2ABRD4CCL2
SCHEMBL6763812 0.70 HTR2A (0.33) HTR2AKCNE1KCNQ1
SCHEMBL28633554 0.69 SIGMAR1 (0.39) HTR2A
SCHEMBL10945066 0.67
SCHEMBL24410042 0.65 TSHR (0.33)
SCHEMBL28116554 0.64 HTR2A (0.35) HTR2ABRD4CCL2
SCHEMBL28725904 0.64 BRD4 (0.36) HTR2ABRD4CCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027387-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 2000-08-16 EP disclosed
EP-1000123-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 EP disclosed
EP-0929610-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1999023169-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 1999-05-14 WO disclosed
WO-1999005222-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
WO-1998014522-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 WO disclosed