SCHEMBL7005800

SCHEMBL7005800

Cc1cccc(-c2ncc(C)c(Oc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 4/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
KMT2A Q03164 2/20 0.51
PPP1CA P62136 1/20 0.51
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
ADORA2A P29274 1/20 0.46
F10 P00742 1/20 0.45
RAB9A P51151 2/20 0.42
P2RY1 P47900 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL7008693 0.89 CYP1A2 (0.51) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL6182752 0.88 NPSR1 (0.55) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL7007726 0.84 CYP1A2 (0.51) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8703669 0.80 KMT2A (0.48) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8707006 0.78 NPSR1 (0.49) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8708406 0.78 NPSR1 (0.49) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8030601 0.76 ALDH1A1 (0.49) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL7014985 0.74 KMT2A (0.71) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL14983666 0.74 IDO1 (0.47) NPSR1ALDH1A1KDM4EADORA2ASMN1; SMN2
SCHEMBL5551399 0.74 ALDH1A1 (0.47) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP claimed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP claimed
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP disclosed
US-6066597-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 2000-05-23 US disclosed
US-6008161-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero) aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 1999-12-28 US disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
US-5824624-A HERBICIDES WITH CARRIERS OR SURFACTANTS AMERICAN CYANAMID COMPANY (US) 1998-10-20 US disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed