SCHEMBL7476685

SCHEMBL7476685

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
GPR119 Q8TDV5 11/20 0.43
ABCB1 P08183 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7469993 1.00 MAPT (0.46) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL7470002 1.00 MAPT (0.46) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL7474800 0.86 ALDH1A1 (0.60) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL25389335 0.82 PIK3CD (0.49) SMARCA2SMARCA4PBRM1GPR119
SCHEMBL25389339 0.82 PIK3CD (0.49) SMARCA2SMARCA4PBRM1GPR119
SCHEMBL30572685 0.82 PIK3CD (0.49) SMARCA2SMARCA4PBRM1GPR119
SCHEMBL7464017 0.82 MAPT (0.52) MAPTALDH1A1LMNAGPR119MEN1
SCHEMBL6734368 0.82 ALDH1A1 (0.52) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL28666823 0.82 MAPT (0.52) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL17958711 0.82 ALDH1A1 (0.52) MAPTALDH1A1LMNASMARCA2SMARCA4

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