SCHEMBL6979290

SCHEMBL6979290

CNc1nc2c(C)c(C(=O)O)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
LDHA P00338 1/20 0.40
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
DYRK1A Q13627 1/20 0.38
PKM P14618 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6979296 0.78 MAPT (0.46) MAPTNPC1RAB9AGAAMEN1
SCHEMBL6984166 0.78 MAPT (0.44) MAPTNPC1RAB9AGAAMEN1
SCHEMBL7088309 0.76 MAPT (0.39) MAPTNPC1RAB9AGAAMEN1
SCHEMBL7158409 0.74 MAPT (0.38) MAPTNPC1RAB9AGAAMEN1
SCHEMBL4507612 0.71 KMT2A (0.38) MAPTNPC1RAB9AGAAMEN1
SCHEMBL6986066 0.68 THRB (0.36) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6982298 0.68 KDM4E (0.42) MAPTNPC1RAB9AMEN1KMT2A
Bromide SCHEMBL11827951 0.66 PKM (0.60) MAPTNPC1RAB9AGAAMEN1
SCHEMBL6476488 0.66 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL21264224 0.66 GAA (0.48) MAPTNPC1RAB9AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
EP-1177194-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068228-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed