SCHEMBL6642020

SCHEMBL6642020

CNC(=O)C(Nc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 2/20 0.48
MMP1 P03956 6/20 0.48
MMP3 P08254 6/20 0.48
MMP2 P08253 6/20 0.48
MMP9 P14780 6/20 0.48
MMP14 P50281 5/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR3 P29371 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
SCHEMBL12463242 0.84 LMNA (0.53) LMNAALDH1A1POLBMMP1MMP3
SCHEMBL15028526 0.84 LMNA (0.53) LMNAALDH1A1POLBMMP1MMP3
Methane SCHEMBL11245825 0.83 POLB (0.61) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL9152358 0.82 MAPT (0.46) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL9152364 0.82 MAPT (0.46) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL2483521 0.82 FPR2 (0.49) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL2483519 0.82 FPR2 (0.49) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL146704 0.82 FPR2 (0.49) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL28534876 0.80 FPR2 (0.47) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL13956904 0.79 MMP1 (0.54) LMNAPOLBMMP1MMP3MMP2

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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP 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