SCHEMBL28055488

SCHEMBL28055488

CSc1ccccc1-c1cccc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 11/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 6/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
NISCH Q9Y2I1 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 4/20 0.36
HIF1A Q16665 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3698024 0.84 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL9018825 0.82 PTPN1 (0.42) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL29354014 0.82 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL2871930 0.82 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL537002 0.80 ALDH1A1 (0.52) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL29538643 0.80 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL27506937 0.80 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5890646 0.77 KDM4E (0.52) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL31087243 0.77 KDM4E (0.52) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL19802370 0.76 ALDH1A1 (0.47) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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
CN-103456884-B Organic electroluminescence device MERCK PATENT GMBH (DE) 2016-03-09 CN disclosed
CN-103456884-A Organic electroluminescent device MERCK PATENT GMBH 2013-12-18 CN disclosed