SCHEMBL7469985

SCHEMBL7469985

CC(C)(C)OC(=O)CN1CCN(c2ccnc3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
WDR5 P61964 1/20 0.41
DPP4 P27487 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
MEN1 O00255 1/20 0.39
IDE P14735 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7474800 0.85 ALDH1A1 (0.60) ALDH1A1MAPTLMNAWDR5SMN1; SMN2
SCHEMBL8119812 0.82 ALDH1A1 (0.53) ALDH1A1MAPTLMNAWDR5MEN1
SCHEMBL7464017 0.79 MAPT (0.52) ALDH1A1MAPTLMNAWDR5MEN1
SCHEMBL7467872 0.79 EIF2AK2 (0.55) ALDH1A1LMNAWDR5MEN1KMT2A
SCHEMBL18406809 0.79 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL7471594 0.77 NR1H3 (0.47) ALDH1A1MAPTLMNAWDR5MEN1
SCHEMBL5637927 0.77 ALDH1A1 (0.60) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL5783473 0.76 ENPP2 (0.51) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16549301 0.74 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2IDE
SCHEMBL7480479 0.74 NCF1 (0.62) ALDH1A1HTR1A

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