SCHEMBL17660993

SCHEMBL17660993

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c2c2oc4ccccc4c2c2c4ccccc4n(-c4ccccc4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.34
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34
MAPT P10636 1/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL22479894 1.00 CASP1 (0.36) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL19986204 0.90 HSD17B10 (0.38) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL19986144 0.88 HSD17B10 (0.37) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL20998092 0.88 HSD17B10 (0.38) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL16582318 0.88 HSD17B10 (0.40) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL22200033 0.86 HSD17B10 (0.38) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL17405341 0.85 ALDH1A1 (0.41) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL17406082 0.85 ALDH1A1 (0.41) CASP1HSD17B10MEN1CSF1RPDGFRB
SCHEMBL22225379 0.84 MEN1 (0.31) HSD17B10MEN1CSF1RPDGFRBMAPT
SCHEMBL22225386 0.84 CDC14B (0.31) HSD17B10MEN1CSF1RPDGFRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016052835-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-07 WO disclosed