SCHEMBL2833240

SCHEMBL2833240

O=C(c1cccs1)C1COc2c1cccc2N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2838752 0.77 SMN1; SMN2 (0.36) LMNAMAPK1GAAALDH1A1MEN1
SCHEMBL2836320 0.73 ALDH1A1 (0.54) MAPTNPSR1LMNAMAPK1TSHR
SCHEMBL30799465 0.62 PIN1 (0.56) MAPTTSHRGAAALDH1A1NPC1
SCHEMBL2666138 0.60 GAA (1.00) MAPTLMNAGAAALDH1A1HTT
SCHEMBL7005733 0.60 TSHR (0.57) MAPTTSHRGAAALDH1A1MEN1
SCHEMBL24620634 0.60 MAPT (0.78) MAPTNPSR1LMNAMAPK1TSHR
SCHEMBL29237121 0.60 MCL1 (0.59) MAPTMAPK1TSHRGAAALDH1A1
SCHEMBL621714 0.60 ALDH1A1 (0.58) LMNATSHRGAAALDH1A1MEN1
SCHEMBL9777027 0.59 RAB9A (0.58) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL14134416 0.59 GAA (0.96) MAPTLMNAGAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed