SCHEMBL3259608

SCHEMBL3259608

C=C(C(=O)OCCS)c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42

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
SCHEMBL3259604 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL28862961 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL28487128 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL14845420 0.70 THRB (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL3795226 0.70 TDP1 (0.44) ALDH1A1SMN1; SMN2HPGDALOX15LMNA
SCHEMBL7706764 0.70 THRB (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL9360112 0.70 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL10009486 0.70 MAPT (0.63) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL6319718 0.69 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL27436309 0.69 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815472-B2 Volume hologram optical recording medium, composition for volume hologram recording layer formation, and volume hologram recording material MITSUBISHI CHEMICAL CORPORATION (JP) 2014-08-26 US disclosed
EP-2077471-B1 VOLUME HOLOGRAM OPTICAL RECORDING MEDIUM, COMPOSITION FOR VOLUME HOLOGRAM RECORDING LAYER FORMATION, AND VOLUME HOLOGRAM RECORDING MATERIAL MITSUBISHI CHEM CORP (JP) 2012-07-25 EP disclosed
US-20100067073-A1 VOLUME HOLOGRAM OPTICAL RECORDING MEDIUM, COMPOSITION FOR VOLUME HOLOGRAM RECORDING LAYER FORMATION, AND VOLUME HOLOGRAM RECORDING MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2010-03-18 US disclosed
EP-2077471-A1 VOLUME HOLOGRAM OPTICAL RECORDING MEDIUM, COMPOSITION FOR VOLUME HOLOGRAM RECORDING LAYER FORMATION, AND VOLUME HOLOGRAM RECORDING MATERIAL Mitsubishi Chemical Corporation (JP) 2009-07-08 EP disclosed