SCHEMBL9749211

SCHEMBL9749211

C=C(SC#N)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.48
PGR P06401 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP2 P08253 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
OGG1 O15527 1/20 0.41
HSP90AA1 P07900 1/20 0.41
FABP7 O15540 3/20 0.41
FABP3 P05413 3/20 0.41

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
SCHEMBL5808449 0.80 HSD17B10 (0.51) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL7181428 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL28645810 0.75 KMT2A (0.54) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL10963212 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29373404 0.74 ALDH1A1 (0.60) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL5082537 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL67480 0.74 ALDH1A1 (0.60) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL10401169 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL18499914 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL9172638 0.74 ALDH1A1 (0.59) ALDH1A1HSD17B10GAAPGRPTGS1

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
US-5142393-A ELECTRO-OPTICAL LIQUID CRYSTAL DEVICE WITH COMPENSATOR HAVING NEGATIVE OPTICAL ANISOTROPY SEIKO EPSON CORPORATION (JP) 1992-08-25 US disclosed