SCHEMBL6869104

SCHEMBL6869104

Cc1[nH]c2ccc(F)cc2c1C1=C(c2cccc([N+](=O)[O-])c2)C(=O)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CSF1R P07333 2/20 0.41

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
SCHEMBL6874413 0.88 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6868738 0.87 IDO1 (0.47) MEN1ALDH1A1KMT2ACSF1RHTR2A
SCHEMBL6952882 0.86 CTSV (0.52) MEN1ALDH1A1KMT2ACSF1RPGR
SCHEMBL4417375 0.73 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15330772 0.69 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27681973 0.69 PTGS2 (0.59) MEN1ALDH1A1KMT2ACSF1RHTR2A
SCHEMBL15797025 0.68 IMPDH2 (0.49) MEN1ALDH1A1KMT2APTGS2MAPT
SCHEMBL30923486 0.67 IDO1 (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28657328 0.67 IDO1 (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12561728 0.67 MAPT (0.54) MEN1ALDH1A1KMT2ACSF1RPTGS2

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
EP-1465610-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP disclosed
WO-2003057202-A1 USE OF A GSK-3BETA INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR INCREASING BONE FORMATION F. HOFFMANN-LA ROCHE AG (CH) 2003-07-17 WO disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed