SCHEMBL7464017

SCHEMBL7464017

C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MAP4K4 O95819 1/20 0.47
GPR119 Q8TDV5 2/20 0.43
RECQL P46063 1/20 0.41
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
WDR5 P61964 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
HTT P42858 1/20 0.37

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
SCHEMBL7471594 0.89 NR1H3 (0.47) MAPTALDH1A1LMNAMAP4K4MEN1
SCHEMBL7474800 0.86 ALDH1A1 (0.60) MAPTALDH1A1LMNAMAP4K4MEN1
SCHEMBL18186400 0.82 ALDH1A1 (0.58) MAPTALDH1A1LMNAMAP4K4GPR119
SCHEMBL16824893 0.82 ALDH1A1 (0.58) MAPTALDH1A1LMNAMAP4K4GPR119
SCHEMBL7470002 0.82 MAPT (0.46) MAPTALDH1A1LMNAGPR119MEN1
SCHEMBL7469993 0.82 MAPT (0.46) MAPTALDH1A1LMNAGPR119MEN1
SCHEMBL7476685 0.82 MAPT (0.46) MAPTALDH1A1LMNAGPR119MEN1
SCHEMBL22445545 0.81 NCF1 (0.53) MAPTMAP4K4GPR119HDAC1MEN1
SCHEMBL22441524 0.81 NCF1 (0.53) MAPTMAP4K4GPR119HDAC1MEN1
SCHEMBL22441526 0.81 NCF1 (0.53) MAPTMAP4K4GPR119HDAC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed