SCHEMBL13264129

SCHEMBL13264129

Bc1cc(F)cc(OC)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 4/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FYN P06241 2/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
ACHE P22303 1/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32

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
SCHEMBL16052950 0.78 MAPT (0.42) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL31261040 0.78 MAPT (0.42) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL13186794 0.78 MAPT (0.42) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL30413681 0.77 MAPT (0.41) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL21440016 0.77 MAPT (0.41) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL27408256 0.75 EP300 (0.47) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL30542553 0.75 MAPT (0.53) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL6744216 0.75 MAPT (0.53) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL5359171 0.74 RAB9A (0.33) MAPTALDH1A1CYP3A4POLBGAA
SCHEMBL18472614 0.72 ACHE (0.59) MAPTALDH1A1CYP3A4KDM4EL3MBTL1

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
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed