SCHEMBL6217040

SCHEMBL6217040

O=C(O)OC1Nc2ccc(Cl)cc2C2C=CCC12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.68
PTPN7 P35236 11/20 0.53
POLB P06746 9/20 0.49
KMT2A Q03164 9/20 0.49
HSPA1A P0DMV8 8/20 0.49
MEN1 O00255 8/20 0.49
L3MBTL1 Q9Y468 7/20 0.49
ALDH1A1 P00352 6/20 0.49
BLM P54132 5/20 0.49
GAPDH P04406 5/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
MASP2 O00187 3/20 0.49
ALOX15 P16050 3/20 0.49
BRCA1 P38398 3/20 0.49
RECQL P46063 3/20 0.49
HSD17B10 Q99714 3/20 0.49
PLA2G1B P04054 2/20 0.49
ATG4B Q9Y4P1 2/20 0.49

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
SCHEMBL6217839 0.84 CDC25B (0.57) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL6678349 0.82 PTPN7 (0.65) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL3610631 0.81 CDC25B (1.00) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL6214848 0.78 GAPDH (0.68) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL15300120 0.75 GRK6 (0.78) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL6215376 0.74 POLB (0.77) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL15321540 0.73 CDC25B (0.60) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL17464572 0.71 MAPT (0.64) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL17458742 0.71 MAPT (0.64) CDC25BPTPN7POLBKMT2AHSPA1A
SCHEMBL6675758 0.70 GAPDH (0.56) PTPN7POLBKMT2AHSPA1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 EP claimed
EP-1411947-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2004-04-28 EP claimed
JP-2003522758-A 2003-07-29 JP claimed
WO-2003013530-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-02-20 WO claimed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 EP claimed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 WO claimed
EP-1254118-B1 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2005-11-09 EP disclosed
EP-1411947-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROISOQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2004-04-28 EP disclosed
WO-2003013530-A2 SALTS OF SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-02-20 WO disclosed
EP-1254118-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2002-11-06 EP disclosed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 WO disclosed