SCHEMBL6979296

SCHEMBL6979296

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
DUSP3 P51452 1/20 0.38
LDHA P00338 1/20 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
SCHEMBL6984168 0.80 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6979290 0.78 MAPT (0.49) MAPTNPC1RAB9AGAAALDH1A1
SCHEMBL6982304 0.71 KDM4E (0.39) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6986068 0.71 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6184828 0.69 CYP3A4 (0.46) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4507612 0.68 KMT2A (0.38) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL7088309 0.65 MAPT (0.39) MAPTNPC1RAB9AGAAALDH1A1
SCHEMBL14532120 0.64 PKM (0.61) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL11450570 0.64 MAPT (0.74) MAPTNPC1RAB9AGAASMN1; SMN2
Bromide SCHEMBL11827951 0.63 PKM (0.60) MAPTNPC1RAB9AGAASMN1; SMN2

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-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP 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