SCHEMBL7110336

SCHEMBL7110336

COc1cc(C#N)nc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CTSS P25774 1/20 0.44
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDR P35968 1/20 0.43
NTRK1 P04629 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
P2RY1 P47900 1/20 0.41

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
SCHEMBL8773209 0.87 MAPT (0.58) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL7110308 0.86 POLB (0.51) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL7108315 0.85 CTSS (0.41) MAPTL3MBTL1CTSSKMT2AALDH1A1
SCHEMBL8773213 0.84 MAPT (0.48) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL6613514 0.83 CTSS (0.56) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL7107314 0.81 MAPT (0.52) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL8062097 0.81 MAPT (0.55) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL8773215 0.79 CYP1A2 (0.50) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL7049881 0.77 MAPT (0.63) MAPTPOLBL3MBTL1GAAMAPK1
SCHEMBL7111473 0.76 AR (0.42) MAPTCYP1A2CYP2C19NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949248-B1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA CHEMICAL IND CO LTD (JP) 2003-10-08 EP disclosed
US-6200933-B1 LOW TOXICITY TO HUMANS AND CATTLE KUREHA KAGAKU KABUSHIKI KAISHA (JP) 2001-03-13 US disclosed
US-6159901-A 6-phenoxy picolinic acid alkylidene hydrazide derivative, process for producing the same and herbicide using the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-12 US disclosed
EP-1020444-A1 6-PHENOXYPICOLINIC ACID, ALKYLIDENEHYDRAZIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed
EP-0949248-A1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-10-13 EP disclosed