SCHEMBL7497196

SCHEMBL7497196

CCOC(=O)C(C#N)=C(C)Nc1ccc(OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK10 P53779 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL19889940 0.85 MAPK10 (0.64) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL11801755 0.85 MAPT (0.49) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7488992 0.85 MAPT (0.49) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7497183 0.85 TP53 (0.61) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7497190 0.85 TP53 (0.61) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7493827 0.84 MAPT (0.49) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7493821 0.81 HDAC3 (0.61) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7493816 0.81 HDAC3 (0.61) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL21757316 0.80 CYP19A1 (0.53) MAPTCYP19A1ALDH1A1KDM4EHPGD
SCHEMBL1553877 0.80 CYP19A1 (0.50) MAPTHDAC3HDAC1HDAC2HDAC8

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
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