SCHEMBL8709573

SCHEMBL8709573

COC(=O)c1ccc(C(=O)N2CCN(c3ncccc3N)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 10/20 0.50
HSD11B1 P28845 1/20 0.50
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL8713970 0.90 ALDH1A1 (0.49) HSD11B1L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL7866478 0.88 MAPK1 (0.47) SLC6A7HSD11B1KDM4EL3MBTL1ALDH1A1
SCHEMBL8441843 0.85 ALDH1A1 (0.49) HSD11B1KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL13149365 0.82 SLC6A7 (0.70) SLC6A7KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL8711887 0.82 ADRA2A (0.51) SLC6A7HSD11B1KDM4EL3MBTL1HPGD
SCHEMBL8711943 0.82 CYP1A2 (0.55) HSD11B1L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL7872821 0.77 SMN1; SMN2 (0.43) HSD11B1KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL8658563 0.77 HPGD (0.68) HPGDALDH1A1TSHRKMT2A
SCHEMBL7869762 0.75 PRKAA2 (0.47) SLC6A7HSD11B1KDM4EL3MBTL1HPGD
SCHEMBL7873110 0.75 PRMT5 (0.46) HSD11B1KDM4EL3MBTL1ALDH1A1KMT2A

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-1998054140-A1 NOVEL TEREPHTHALAMIDE DERIVATIVES DONGWHA PHARMACEUTICAL IND. CO., LTD. (KR) 1998-12-03 WO disclosed