SCHEMBL7025065

SCHEMBL7025065

O=Cc1coc2ccc(Br)cc2c1=O.O=c1ccoc2c(Br)cc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.70
MAOA P21397 9/20 0.49
MAOB P27338 9/20 0.49
PTPN2 P17706 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL177572 0.83 PTPN1 (1.00) PTPN1MAOAMAOBPTPN2MEN1
SCHEMBL5358403 0.78 PTPN1 (1.00) PTPN1MAOAMAOBPTPN2MEN1
SCHEMBL30771800 0.78 PTPN1 (0.47) PTPN1MAOAMAOBMEN1ALDH1A1
SCHEMBL15951253 0.73 PTPN1 (0.78) PTPN1MAOAMAOBPTPN2MEN1
SCHEMBL19182133 0.72 PTPN1 (0.77) PTPN1MAOAMAOBPTPN2MEN1
SCHEMBL29529294 0.72 PTPN1 (0.77) PTPN1MAOAMAOBPTPN2MEN1
SCHEMBL321544 0.70 MAOA (0.59) PTPN1MAOAMAOB
SCHEMBL5363245 0.70 PTPN1 (1.00) PTPN1MAOAMAOBPTPN2ALDH1A1
SCHEMBL28318700 0.68 ALDH1A1 (0.70) PTPN1MAOAMAOBMEN1ALDH1A1
Benzene SCHEMBL28091545 0.68 ACHE (0.57) PTPN1MAOAMAOBMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322308-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION Durect Corporation (US) 2003-07-02 EP disclosed
WO-2002028366-A9 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORP (US) 2003-02-13 WO disclosed
WO-2002028366-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORPORATION (US) 2002-04-11 WO disclosed