SCHEMBL7405347

SCHEMBL7405347

CC(=O)Nc1[c]cc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
DYRK1A Q13627 2/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL11262706 0.75 SMN1; SMN2 (0.54) CYP1A2GAAKMT2ASMN1; SMN2DYRK1A
SCHEMBL5671205 0.75 MAPT (0.56) CYP1A2GAAKMT2ASMN1; SMN2MAPT
SCHEMBL642700 0.73 KMT2A (0.81) GAAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL17748324 0.73 TDP1 (0.50) GAAKMT2ASMN1; SMN2DYRK1AMAPT
SCHEMBL975122 0.73 ALDH1A1 (0.50) CYP1A2GAAKMT2ASMN1; SMN2DYRK1A
SCHEMBL16922176 0.73 KMT2A (0.81) GAAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3891134 0.73 SMN1; SMN2 (0.38) GAAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10704714 0.72 KMT2A (0.48) KMT2ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL10709664 0.72 MAPT (0.43) KMT2ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL1637554 0.72 PTK2 (0.44) GAAKMT2ASMN1; SMN2DYRK1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011037-A Thiazole derivatives with phosphodiesterase-inhibiting action BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-04 US disclosed
EP-0920426-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-06-09 EP disclosed
WO-1998008841-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
WO-1998008830-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed