SCHEMBL7473472

SCHEMBL7473472

CC(C)(C)OC(=O)C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2=O)Cc2cc(N)sc2CO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
DRD2 P14416 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL7464864 0.86 KDM4E (0.34)
SCHEMBL7471265 0.83 ACHE (0.31)
SCHEMBL7474476 0.77 PDE4D (0.32)
SCHEMBL3304577 0.73 MAPT (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7479571 0.70 STING1 (0.30)
SCHEMBL5837781 0.69 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18786857 0.66 MAPT (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2144223 0.65 CA9 (0.46) MAPTALDH1A1LMNA
SCHEMBL2144236 0.65 CA9 (0.46) MAPTALDH1A1LMNA
SCHEMBL7476167 0.65 ALDH1A1 (0.30) ALDH1A1

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-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed