SCHEMBL7841992

SCHEMBL7841992

Cc1cc(-c2cc(=O)n(C)[nH]2)c(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
AKR1B1 P15121 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7167710 0.86 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11753623 0.76 MAPT (0.46) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL17290637 0.72 RAB9A (0.49) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL761767 0.68 MEN1 (0.41) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL12297523 0.67 MEN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12297394 0.67 MAPT (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23402953 0.65 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL31081342 0.64 KDM5B (0.47) MAPTPOLBSMN1; SMN2
SCHEMBL12297457 0.64 KMT2A (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12297519 0.64 MEN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-0836593-B1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AG (DE) 2001-02-14 EP disclosed
US-6096689-A AND FOR DESICCATING OR DEFOLIATING PLANTS; APPLYING TO CROPS, IN PARTICULAR, COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
EP-0836593-A1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-22 EP disclosed
WO-1997002251-A1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed