SCHEMBL18320802

SCHEMBL18320802

CCOC(=O)c1cc(C#N)nc2onc(C)c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CASP1 P29466 2/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 2/20 0.53
CASP7 P55210 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
SLC26A6 Q9BXS9 10/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL18320719 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL18320759 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL17712776 0.71 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL18694772 0.70 ALDH1A1 (0.63) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL8832176 0.69 IDO1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL11818968 0.69 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL11819884 0.68 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL5961528 0.68 KMT2A (0.55) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL18716551 0.67 ALDH1A1 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2CASP1
SCHEMBL6293949 0.67 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed