SCHEMBL7488992

SCHEMBL7488992

CCOC(=O)C(C#N)=C(C)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
DHODH Q02127 2/20 0.49
CYP19A1 P11511 2/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK10 P53779 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL11801755 1.00 MAPT (0.49) MAPTDHODHCYP19A1GAAALDH1A1
SCHEMBL19889940 0.86 MAPK10 (0.64) MAPTGAAALDH1A1MAPK10TDP1
SCHEMBL7497196 0.85 MAPT (0.50) MAPTCYP19A1GAAALDH1A1L3MBTL1
SCHEMBL7488984 0.83 TP53 (0.55) MAPTDHODHCYP19A1GAAALDH1A1
SCHEMBL8327933 0.83 TP53 (0.55) MAPTDHODHCYP19A1GAAALDH1A1
SCHEMBL7488989 0.83 TP53 (0.55) MAPTDHODHCYP19A1GAAALDH1A1
SCHEMBL11436210 0.83 MAPT (0.47) MAPTDHODHCYP19A1GAAALDH1A1
SCHEMBL7493239 0.83 ALDH1A1 (0.45) MAPTDHODHGAAALDH1A1L3MBTL1
SCHEMBL18707907 0.82 CYP19A1 (0.54) MAPTCYP19A1GAAALDH1A1TDP1
SCHEMBL7491261 0.81 ALDH1A1 (0.56) MAPTALDH1A1MAPK10TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
US-3981717-A ANILINO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed