SCHEMBL5786752

SCHEMBL5786752

CC(O)c1ccccc1Nc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 5/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HTT P42858 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL11018690 0.84 MAPT (0.46) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL6825671 0.80 TSHR (0.44) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL5968363 0.76 SIRT2 (0.43) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL6183976 0.76 SIRT2 (0.43) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL4661227 0.76 MEN1 (0.42) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL14099343 0.72 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL12067045 0.72 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL2718726 0.72 ALDH1A1 (0.59) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL10914403 0.71 L3MBTL1 (0.38) LMNAALDH1A1L3MBTL1MAPTCYP3A4
SCHEMBL932122 0.71 L3MBTL1 (0.41) MEN1KMT2ALMNAALDH1A1L3MBTL1

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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed