SCHEMBL4048080

SCHEMBL4048080

NCC1(CN)CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
CACNA2D1 P54289 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLC6A3 Q01959 8/20 0.34
SLC6A4 P31645 6/20 0.34
DPP4 P27487 1/20 0.33
SLC6A2 P23975 4/20 0.32

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
SCHEMBL17583500 1.00 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL671851 1.00 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL670620 1.00 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL34979 1.00 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL980620 1.00 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
Ammonia Solution, Strong SCHEMBL5039681 0.97 USP2 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5803239 0.97 USP2 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL9709883 0.97 USP2 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3339369 0.96
SCHEMBL4117794 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066679-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AEterna Zentaris GmbH (DE) 2009-06-10 EP claimed
WO-2008028934-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-03-13 WO claimed
EP-1545572-A4 CONJUGATES ACTIVATED BY CELL SURFACE PROTEASES AND THERAPEUTIC USES THEREOF DENDREON CORP (US) 2006-04-12 EP claimed
EP-1545572-A2 CONJUGATES ACTIVATED BY CELL SURFACE PROTEASES AND THERAPEUTIC USES THEREOF Dendreon Corporation (US) 2005-06-29 EP claimed
WO-2002095007-A2 CONJUGATES ACTIVATED BY CELL SURFACE PROTEASES AND THERAPEUTIC USES THEREOF DENDREON SAN DIEGO LLC (US) 2002-11-28 WO claimed
EP-2066679-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AEterna Zentaris GmbH (DE) 2009-06-10 EP disclosed
WO-2008028934-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-03-13 WO disclosed
EP-1545572-A4 CONJUGATES ACTIVATED BY CELL SURFACE PROTEASES AND THERAPEUTIC USES THEREOF DENDREON CORP (US) 2006-04-12 EP disclosed
EP-1545572-A2 CONJUGATES ACTIVATED BY CELL SURFACE PROTEASES AND THERAPEUTIC USES THEREOF Dendreon Corporation (US) 2005-06-29 EP disclosed
WO-2002095007-A2 CONJUGATES ACTIVATED BY CELL SURFACE PROTEASES AND THERAPEUTIC USES THEREOF DENDREON SAN DIEGO LLC (US) 2002-11-28 WO disclosed