SCHEMBL5768645

SCHEMBL5768645

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(Cl)c(Cl)c1.O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
APAF1 O14727 3/20 0.44
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 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
SCHEMBL6101735 0.93 MAPT (0.55) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL5767183 0.92 KMT2A (0.46) MAPTKMT2AMEN1APAF1ALDH1A1
SCHEMBL6101670 0.84 KDM4E (0.42) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL6102479 0.83 PARP1 (0.41) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL5766292 0.81 CA12 (0.41) KDM4EKMT2AMEN1ALDH1A1ALOX15
SCHEMBL6101386 0.79 KMT2A (0.43) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL5767355 0.78 KDM4E (0.43) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL5767865 0.78 KCNN4 (0.46) MAPTKDM4EMAPK1KMT2AMEN1
SCHEMBL6098180 0.78 UBE2N (0.45) MAPTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL5795396 0.78 KDM4E (0.38) MAPTKDM4EMAPK1KMT2AMEN1

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-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP claimed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO claimed