SCHEMBL5190665

SCHEMBL5190665

COc1ccc(CNC(=O)CC2CN(C(=O)NC3CCCCC3)CCN2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
EPHX1 P07099 1/20 0.51
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.42
BACE1 P56817 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
SCHEMBL5190763 0.92 RXFP1 (0.46) KMT2AMEN1EPHX1GAAHPGD
SCHEMBL5213606 0.92 KMT2A (0.60) KMT2AMEN1EPHX1GAAALDH1A1
SCHEMBL22738143 0.79 KDM4E (0.64) KMT2AMEN1EPHX1ALDH1A1KDM4E
SCHEMBL5278574 0.77 LMNA (0.48) GAALMNA
SCHEMBL5192873 0.77 LMNA (0.47) KMT2AMEN1GAAKDM4ELMNA
SCHEMBL5191071 0.77 LMNA (0.47) KMT2AMEN1GAALMNA
SCHEMBL5193468 0.77 ALDH1A1 (0.52) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL16178769 0.76 NPC1 (0.57) KMT2AALDH1A1KDM4EPOLBLMNA
SCHEMBL5190550 0.74 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL5193499 0.73 FAAH (0.52) KMT2AMEN1GAAHPGDALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed