SCHEMBL7206071

SCHEMBL7206071

C=Cc1ccccc1CSC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
TBXA2R P21731 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
PTGDR Q13258 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
SCHEMBL4631666 0.83 CYP1A2 (0.43) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL14732602 0.80 ALDH1A1 (0.38) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL1199445 0.79 LMNA (0.54) ALDH1A1EGFRMEN1LMNATHRB
SCHEMBL7898650 0.79 ALDH1A1 (0.41) ALDH1A1
Methylsulfanylmethane SCHEMBL4613717 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ATSHR
SCHEMBL9068187 0.77 ALDH1A1 (0.35) ALDH1A1LMNATDP1TSHR
SCHEMBL14732601 0.77 CYP1A2 (0.36) ALDH1A1MEN1KMT2ATDP1
SCHEMBL3083039 0.77 MAPT (0.39) EGFRLMNAKMT2A
SCHEMBL19539346 0.76 ALDH1A1 (0.41) ALDH1A1EGFRMEN1LMNAKMT2A
SCHEMBL6888749 0.76 ALDH1A1 (0.38) ALDH1A1MEN1LMNATHRBBLM

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
JP-3273011-A None JP disclosed
US-6610458-B2 Applying coating to printing cylinder which changes affinity for printing fluid upon exposure to radiation; lithography KODAK POLYCHROME GRAPHICS LLC 2003-08-26 US disclosed
US-6423469-B1 IONOMER COMPRISING UNSATURATED COMONOMERS OF QUATERNIZED N-ALKYLATED AROMATIC HETEROCYCLIC, ORGANOONIUM, AND THIOSULFATE COMPOUNDS; LITHOGRAPHY EASTMAN KODAK COMPANY 2002-07-23 US disclosed
US-6410202-B1 HYDROPHILIC HEAT SENSITIVE ELEMENTS EASTMAN KODAK COMPANY 2002-06-25 US disclosed
US-6399268-B1 Processless direct write imaging member containing polymer grafted carbon and methods of imaging and printing KODAK POLYCHROME GRAPHICS LLC 2002-06-04 US disclosed
JP-H03273011-A ORGANIC GLASS TOKUYAMA SODA CO LTD 1991-12-04 JP disclosed