SCHEMBL10399101

SCHEMBL10399101

CC(=CC#N)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
JAK1 P23458 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL10399120 1.00 CES2 (0.46) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL24704151 0.81 PDE4A (0.51) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL17795993 0.79 PDE4A (0.43) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL7570852 0.79 CES2 (0.54) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL28539564 0.79 CES2 (0.54) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL11852908 0.79 PLAU (0.56) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL29483453 0.79 CES2 (0.46) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL28519063 0.79 CES2 (0.46) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL11852913 0.79 PLAU (0.56) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL29041273 0.79 CES2 (0.46) CES2CES1KDM4EHPGDSMN1; 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
EP-0393940-A1 Substituted and unsubstituted naphthalenyl-3H-1,2,3,5-oxthiadiazole 2-oxides AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
US-4895861-A Novel naphthalenyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-23 US disclosed