SCHEMBL9550573

SCHEMBL9550573

CC(=O)NN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ABCC9 O60706 5/20 0.44
ABCB1 P08183 4/20 0.43
SIRT2 Q8IXJ6 4/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
KCNE1 P15382 4/20 0.41
KCNQ1 P51787 4/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KCND3 Q9UK17 1/20 0.41
SIRT1 Q96EB6 2/20 0.41
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40

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
SCHEMBL9617701 1.00 KDM4E (0.51) KDM4EABCC9ABCB1SIRT2CYP3A4
SCHEMBL9529230 0.85 KDM4E (0.54) KDM4EABCC9ABCB1SIRT2CYP3A4
SCHEMBL9397668 0.80 KDM4E (0.72) KDM4EABCC9ABCB1CYP3A4ALOX15
SCHEMBL9398511 0.80 KDM4E (0.72) KDM4EABCC9ABCB1CYP3A4ALOX15
SCHEMBL9398721 0.80 KDM4E (0.72) KDM4EABCC9ABCB1CYP3A4ALOX15
SCHEMBL9533264 0.79 SIRT2 (0.57) KDM4EABCC9ABCB1SIRT2CYP1A2
SCHEMBL9398457 0.78 KDM4E (0.59) KDM4EABCC9ABCB1CYP3A4ALOX15
SCHEMBL9398440 0.78 KDM4E (0.59) KDM4EABCC9ABCB1CYP3A4ALOX15
SCHEMBL9398445 0.78 KDM4E (0.59) KDM4EABCC9ABCB1CYP3A4ALOX15
SCHEMBL10590412 0.77 ABCC9 (0.39) KDM4EABCC9CYP3A4CYP2D6CYP2C19

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-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed