SCHEMBL92166

SCHEMBL92166

[C-]#[N+]/C(C#N)=C1/C(=Cc2ccc(C)cc2)S(=O)(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MIF P14174 2/20 0.32
GPR3 P46089 1/20 0.31

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
SCHEMBL12888761 0.80 ESR1 (0.33) ESR1ESR2MEN1KMT2AGPR3
SCHEMBL12888819 0.80 ESR1 (0.33) ESR1ESR2MEN1KMT2AGPR3
SCHEMBL1101404 0.80 ESR1 (0.33) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL12536406 0.75 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6570783 0.73 ESR1 (0.48) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL13171745 0.73 GPR3 (0.39) MEN1KMT2AGPR3
SCHEMBL9915573 0.73 GPR3 (0.39) MEN1KMT2AGPR3
SCHEMBL12194310 0.72 ESR1 (0.31) ESR1ESR2
SCHEMBL23515515 0.71 ESR1 (0.45) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL15146693 0.66 GPR3 (0.40) ESR1ESR2MEN1KMT2AALDH1A1

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
US-8236728-B2 Heat-sensitive transfer sheet FUJIFILM CORPORATION (JP) 2012-08-07 US disclosed
US-8129310-B2 Heat-sensitive transfer sheet FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-7864205-B2 Heat-sensitive transfer image-forming method FUJIFILM CORPORATION (JP) 2011-01-04 US disclosed
US-20090189968-A1 HEAT-SENSITIVE TRANSFER IMAGE-FORMING METHOD FUJIFILM CORPORATION (JP) 2009-07-30 US disclosed
US-20090087598-A1 HEAT-SENSITIVE TRANSFER SHEET FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090060131-A1 HEAT-SENSITIVE TRANSFER SHEET FUJIFILM CORPORATION (JP) 2009-03-05 US disclosed