SCHEMBL2446345

SCHEMBL2446345

O=C(O)CCCc1nc2cc(CN3CCOCC3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.44
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CHEK1 O14757 4/20 0.42
CDK7 P50613 2/20 0.42
AURKA O14965 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 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
SCHEMBL16040266 0.78 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECHRM1HDAC3
SCHEMBL10665554 0.75 CYP2D6 (0.42) HPGDALDH1A1HSD17B10L3MBTL1
SCHEMBL8262963 0.74 FGFR1 (0.51) HPGDALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL1920689 0.73 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECHRM1HDAC3
SCHEMBL2446340 0.70 SMN1; SMN2 (0.41) ALDH1A1HSD17B10MAPTKDM4ECHRM1
SCHEMBL2017763 0.70 CHRM1 (0.82) ALDH1A1MAPTKDM4ECHRM1
SCHEMBL521863 0.69 KDM4E (0.79) HPGDALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL1646037 0.69 AURKA (0.49) HPGDALDH1A1HSD17B10KDM4EHDAC3
SCHEMBL28005156 0.69 MAPT (0.62) ALDH1A1L3MBTL1MAPTKDM4ECHRM1
SCHEMBL11037651 0.69 PARP1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6

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-2575785-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE AND THERAPEUTIC USE THEREOF Astellas Deutschland GmbH (DE) 2013-04-10 EP disclosed
EP-2575784-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE Astellas Deutschland GmbH (DE) 2013-04-10 EP disclosed
EP-2367542-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE Astellas Deutschland GmbH (DE) 2011-09-28 EP disclosed
EP-2367538-A2 SOLID DOSAGE FORMS OF BENDAMUSTINE Astellas Deutschland GmbH (DE) 2011-09-28 EP disclosed
WO-2010063476-A2 SOLID DOSAGE FORMS OF BENDAMUSTINE ASTELLAS DEUTSCHLAND GMBH (DE) 2010-06-10 WO disclosed
WO-2010063493-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE ASTELLAS DEUTSCHLAND GMBH (DE) 2010-06-10 WO disclosed