SCHEMBL7139014

SCHEMBL7139014

COCOc1c(C)cc(C=O)cc1I

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
PTPN1 P18031 1/20 0.34
MCL1 Q07820 1/20 0.33
FDPS P14324 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL146679 0.88 SRC (0.49) SRCPTPN1FDPSALDH1A1MAPK1
SCHEMBL2680807 0.83 ALDH1A1 (0.45) FDPSALDH1A1MAPK1MEN1POLB
SCHEMBL6738294 0.81 SRC (0.49) SRCMCL1FDPSALDH1A1MAPK1
SCHEMBL13573079 0.81 ALDH1A1 (0.46) SRCPTPN1FDPSALDH1A1MAPK1
SCHEMBL16055032 0.80 ALDH1A1 (0.45) FDPSALDH1A1MAPK1MAPTHPGD
SCHEMBL13116218 0.77 SRC (0.42) SRCFDPSALDH1A1MAPK1MEN1
SCHEMBL5989261 0.76 FDPS (0.34) SRCMCL1FDPSALDH1A1MAPK1
SCHEMBL4990719 0.74 SRC (0.46) SRCFDPSALDH1A1MAPK1MEN1
SCHEMBL4137984 0.74 FDPS (0.43) PTPN1FDPSALDH1A1MAPK1POLB
SCHEMBL27426723 0.73 ALDH1A1 (0.36) SRCMCL1FDPSALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
CN-1091109-C Substituted 2, 4-diaminopyrimidines BASLIER PHARMACEUTICALS AG (CH) 2002-09-18 CN disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
CN-1249751-A Substituted 2, 4-diaminopyrimidines HOFFMANN LA ROCHE (CH) 2000-04-05 CN disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 WO disclosed