SCHEMBL3620902

SCHEMBL3620902

O=C(Sc1ccc(O)cc1)c1ccc(CSc2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
LMNA P02545 6/20 0.44
HPGD P15428 6/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 8/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.40
NCOR1 O75376 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL1603880 0.84 MAPT (0.50) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL2705369 0.83 CA12 (0.57) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL3761131 0.83 CA12 (0.57) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL3241580 0.82 MEN1 (0.50) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL3628183 0.81 CA2 (0.47) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL13534805 0.80 HDAC3 (0.52) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL10500136 0.75 CES2 (0.45) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL10500354 0.75 MAPK1 (0.59) LMNAHPGDMAPTSMN1; SMN2RAB9A
SCHEMBL14567121 0.74 CES2 (0.54) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL14599304 0.74 CES2 (0.54) MEN1KMT2ALMNAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161255-A1 Phenolic Compound and Recording Material Using the Same NIPPON SODA CO., LTD. (JP) 2010-03-10 EP disclosed
US-7169737-B2 For use in recording materials using a color developing dye, such as thermal sensitive recording material and pressure sensitive copying material, storage stability NIPPON SODA CO., LTD. (JP) 2007-01-30 US disclosed
US-20050096222-A1 For use in recording materials using a color developing dye, such as thermal sensitive recording material and pressure sensitive copying material, storage stability NIPPON SODA CO., LTD. (JP) 2005-05-05 US disclosed