SCHEMBL15577939

SCHEMBL15577939

C/C(CO)=N/O.C/C=N\O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15577940 1.00 ALDH1A1 (0.43) ALDH1A1KDM4E
SCHEMBL5982038 0.85
SCHEMBL4082098 0.85
SCHEMBL9419339 0.78 ALDH1A1 (0.43) ALDH1A1KDM4E
SCHEMBL9419341 0.78 ALDH1A1 (0.43) ALDH1A1KDM4E
SCHEMBL28187157 0.72
SCHEMBL93710 0.71
SCHEMBL202602 0.71
SCHEMBL114712 0.71
Hydrochloric Acid SCHEMBL20394242 0.67

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-2895175-A1 METHODS OF PRODUCING MOLINDONE AND ITS SALTS Supernus Pharmaceuticals, Inc. (US) 2015-07-22 EP disclosed
WO-2014042688-A1 METHODS OF PRODUCING MOLINDONE AND ITS SALTS SUPERNUS PHARMACEUTICALS INC. (US) 2014-03-20 WO disclosed