SCHEMBL5204527

SCHEMBL5204527

CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1N=NC1C(=O)N(c2ccc(C(C)(C)C)cc2)N=C1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ POLB P06746 2/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL5204522 1.00 MAPT (0.50) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5202437 0.89 MEN1 (0.51) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5202444 0.89 MEN1 (0.51) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5202448 0.89 MEN1 (0.51) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL7166364 0.89 MAPT (0.41) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL7166367 0.89 MAPT (0.41) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5204078 0.85 MAPT (0.52) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5204074 0.85 MAPT (0.52) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL7159472 0.85 KMT2A (0.50) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5202109 0.84 MAPT (0.46) MAPTSMN1; SMN2LMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223944-B1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2007-01-03 — — EP claimed
US-6552008-B1 Administering effective amount of a selected azo-pyrazole derivative for therapy of thrombocytopenia SMITHKLINE BEECHAM CORPORATION 2003-04-22 — — US claimed
EP-1223944-B1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2007-01-03 — — EP disclosed
US-6552008-B1 Administering effective amount of a selected azo-pyrazole derivative for therapy of thrombocytopenia SMITHKLINE BEECHAM CORPORATION 2003-04-22 — — US disclosed
EP-1223944-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2002-10-30 — — EP disclosed
EP-1223944-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2002-07-24 — — EP disclosed
WO-2001021180-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-29 — — WO disclosed
Send feedback