SCHEMBL3645103

SCHEMBL3645103

O=C(NCCNCc1ccccc1)c1cccc2occc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.57
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 5/20 0.47
NSD2 O96028 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.45
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL3644917 0.89 KDM4E (0.58) CTDSP1KDM4EKMT2ACYP2C19MEN1
SCHEMBL3648211 0.89 NPC1 (0.49) CTDSP1KMT2AMEN1GAAUSP2
SCHEMBL3645974 0.87 POLB (0.55) CTDSP1KMT2AMEN1GAAUSP2
SCHEMBL3644780 0.86 SLC6A5 (0.46) CTDSP1KDM4EGAASLC6A5
SCHEMBL3648208 0.85 HPGD (0.46) KMT2ANSD2CYP3A4CYP2C9CYP2C19
SCHEMBL3645101 0.84 LMNA (0.48) KMT2AMEN1GAAPOLBLMNA
SCHEMBL3645968 0.83 MEN1 (0.47) KDM4EKMT2AMEN1GAAUSP2
SCHEMBL3646932 0.82 HPGD (0.64) KMT2AMEN1GAAUSP2POLB
SCHEMBL3645917 0.81 TSHR (0.41) KMT2AMEN1GAAUSP2POLB
SCHEMBL3646929 0.81 MEN1 (0.42) KMT2ANSD2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP claimed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO claimed
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP disclosed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP disclosed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO disclosed