SCHEMBL6995402

SCHEMBL6995402

CN1C(=O)C2=C(C1=O)N1CCN(CC1)C1=C(C(=O)N(C)C1=O)c1c([nH]c3ccccc13)CCCc1[nH]c3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CHRNA7 P36544 1/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
DRD2 P14416 4/20 0.37
DRD1 P21728 4/20 0.37
DRD4 P21917 4/20 0.37
DRD5 P21918 4/20 0.37
DRD3 P35462 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7001489 0.96 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6866221 0.96 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6860148 0.92 SMN1; SMN2 (0.41) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6860208 0.92 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6871066 0.91 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6870465 0.91 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6860091 0.91 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6865623 0.90 SMN1; SMN2 (0.38) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6866820 0.90 SMN1; SMN2 (0.38) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1
SCHEMBL6864514 0.90 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2SIRT2SIRT1

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
EP-1109785-B1 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ZENTARIS AG (DE) 2003-01-02 EP disclosed