SCHEMBL3458428

SCHEMBL3458428

Nc1cccc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
ADORA2A P29274 1/20 0.50
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
LRRK2 Q5S007 1/20 0.44
TEAD1 P28347 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDR P35968 2/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL29607042 0.89 MAPT (0.65) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL8773158 0.89 MAPT (0.65) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL8941516 0.83 MAPT (0.59) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL6263062 0.82 MAPT (0.52) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL17772777 0.81 MAPT (0.61) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL3457474 0.81 MAPT (0.58) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL28076151 0.81 MAPT (0.58) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL17764739 0.81 MAPT (0.58) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL6613426 0.81 MAPT (0.54) MAPTL3MBTL1ALDH1A1POLBADORA2A
SCHEMBL8507695 0.80 MAPT (0.56) MAPTL3MBTL1ALDH1A1POLBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed
EP-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed