SCHEMBL2446340

SCHEMBL2446340

Cc1c(N2CCOCC2)ccc2[nH]c(CCCC(=O)O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.37
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
S1PR1 P21453 1/20 0.37
USP2 O75604 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
TGFBR1 P36897 1/20 0.36
HTR6 P50406 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL15436004 0.72 ALDH1A1 (0.44) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL2448392 0.71 ALDH1A1 (0.43) ALDH1A1MAPTEGFRTGFBR1KDM4E
SCHEMBL1920686 0.70 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTTGFBR1KDM4E
SCHEMBL2446345 0.70 HPGD (0.48) ALDH1A1MAPTDRD2DRD4DRD3
SCHEMBL2451575 0.67 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTTGFBR1KDM4E
SCHEMBL3582641 0.67 PARP1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1PIK3CD
SCHEMBL5515307 0.65 AURKA (0.45) IRAK4EGFRPIK3CDPIK3CB
SCHEMBL27903856 0.65 HTR6 (0.54) ALDH1A1MAPTIRAK4PIK3CDPIK3CA
SCHEMBL20120037 0.64 GPR17 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL27860784 0.62 MAPT (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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