SCHEMBL9866429

SCHEMBL9866429

CCOC(=O)CC1=NNc2ccccc2C=C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 3/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CHEK1 O14757 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
SCHEMBL8199079 0.86 SMN1; SMN2 (0.39) HSD17B10SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL4717203 0.80 GAA (0.38) SMN1; SMN2ALDH1A1LMNATSHRUSP2
SCHEMBL11710279 0.76 GAA (0.43) GAA
SCHEMBL6188489 0.73 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL9934042 0.73 GAA (0.43) GAA
SCHEMBL8642184 0.71 KEAP1 (0.41) HSD17B10SMN1; SMN2ALDH1A1MAPK1GAA
SCHEMBL8696697 0.70 GAA (0.43) GAA
SCHEMBL8552747 0.70 GAA (0.43) GAA
SCHEMBL8900868 0.69 GAA (0.38) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL4481007 0.68 MAPT (0.42) ALDH1A1MAPK1GAAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed