SCHEMBL1974249

SCHEMBL1974249

CC(=O)Nc1ccc(C2=C3C=CC(=N3)C(c3ccc(C)cc3)=C3C=CC(=N3)C(c3ccc(C(=O)O)cc3)=C3C=CC(=N3)C(c3ccc(C)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ PKM P14618 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ PDE10A Q9Y233 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
SCHEMBL1977054 0.88 ALDH1A1 (0.53) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL10568742 0.87 SMN1; SMN2 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL3475755 0.81 TSHR (0.44) CA12CA1CA2CA9NPC1
SCHEMBL7241026 0.81 TSHR (0.49) TDP1CA12CA1CA2CA9
SCHEMBL17183610 0.80 TP53 (0.43) CA12CA1CA2CA9NPC1
SCHEMBL21768343 0.80 TP53 (0.43) CA12CA1CA2CA9NPC1
SCHEMBL25394857 0.77 NPC1 (0.47) SMN1; SMN2NPC1HPGDGAAALDH1A1
SCHEMBL483513 0.77 NPC1 (0.47) SMN1; SMN2NPC1HPGDGAAALDH1A1
SCHEMBL25395879 0.77 NPC1 (0.47) SMN1; SMN2NPC1HPGDGAAALDH1A1
SCHEMBL19718104 0.77 TSHR (0.42) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809332-B1 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS ONCOLOGIC INC (US) 2011-12-14 — — EP disclosed
US-20110142756-A1 Method And Composition For The Treatment Of Cancer By The Enzymatic Conversion Of Soluble Radioactive Toxic Precipitates In The Cancer Rose, David S. (US) 2011-06-16 — — US disclosed
US-7807136-B2 Method and composition for the treatment of cancer by the enzymatic conversion of soluble radioactive toxic precipitates in the cancer Rose, David S. (US) 2010-10-05 — — US disclosed
US-20100062006-A9 Method and composition for the treatment of cancer by the enzymatic conversion of soluble radioactive toxic precipitates in the cancer MAYERS GEORGE L 2010-03-11 — — US disclosed
US-7615221-B2 Compositions and methods for treating cancer ONCOLOGIC, INC. (US) 2009-11-10 — — US disclosed
EP-1809332-A2 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS Oncologic, Inc. (US) 2007-07-25 — — EP disclosed
US-20060018908-A1 Compositions and methods for treating cancer ROSE, DAVID STUART 2006-01-26 — — US disclosed
WO-2006010165-A2 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS ONCOLOGIC, INC. (US) 2006-01-26 — — WO disclosed
US-20050058652-A1 Method and composition for the treatment of cancer by the enzymatic conversion of soluble radioactive toxic precipitates in the cancer ROSE, DAVID STUART 2005-03-17 — — US disclosed
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