SCHEMBL16719475

SCHEMBL16719475

Oc1c[c]ccc1-c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.36
CASP6 P55212 2/20 0.35
CYP19A1 P11511 1/20 0.33
MMP2 P08253 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
COMT P21964 1/20 0.31
ADRA1A P35348 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16720809 0.79 KDM4E (0.45) KDM1ACASP6TSHRMETAP1ALDH1A1
SCHEMBL17653997 0.74 ADORA2A (0.54) TSHRALDH1A1L3MBTL1
SCHEMBL17654018 0.73 CYP1A2 (0.48) TSHRALDH1A1
SCHEMBL2373481 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1
SCHEMBL16720179 0.72 QDPR (0.39) ALDH1A1L3MBTL1
SCHEMBL16720501 0.72 CYP2A6 (0.48) CYP19A1ALDH1A1L3MBTL1
SCHEMBL679952 0.72 CYP19A1 (0.55) KDM1ACASP6CYP19A1TSHRALDH1A1
SCHEMBL31551042 0.72 CYP19A1 (0.55) KDM1ACASP6CYP19A1TSHRALDH1A1
SCHEMBL16719631 0.71 CDC7 (0.51)
SCHEMBL159940 0.71 ALDH1A1 (0.54) HDAC8ALDH1A1

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed