SCHEMBL7091138

SCHEMBL7091138

CN(Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1N.Nc1cc(N2CCOCC2)ccc1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.46
HTR6 P50406 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
HTT P42858 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 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
SCHEMBL5058333 0.92 AOC3 (0.53) AOC3HTR6MEN1KMT2AALDH1A1
SCHEMBL5054839 0.82 PRKDC (0.51) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL5065327 0.81 PRKDC (0.50) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL7093006 0.76 PRKDC (0.49) AOC3MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL5059649 0.76 PRKDC (0.55) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL2420829 0.70 IP6K1 (0.56) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5065308 0.70 PRKDC (0.68) MEN1KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL30590429 0.69 PRKDC (0.71) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL14551894 0.69 PRKDC (0.71) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5054645 0.69 PRKDC (0.58) AOC3MEN1KMT2AALDH1A1KDM4E

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-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed