SCHEMBL17166117

SCHEMBL17166117

Nc1cnn(Cc2c(F)cccc2CF)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
MAPT P10636 2/20 0.67
PKM P14618 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA5A P35218 1/20 0.41
KLKB1 P03952 5/20 0.34
ADORA2B P29275 1/20 0.34
TAS2R8 Q9NYW2 4/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL15163843 0.82 MAPT (0.61) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL15520765 0.80 ALDH1A1 (1.00) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL4423914 0.79 MAPT (0.57) ALDH1A1MAPTPKML3MBTL1LMNA
Hydrochloric Acid SCHEMBL2722945 0.78 MAPT (0.56) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL17166119 0.78 POLB (0.45) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL22619696 0.72 ALDH1A1 (0.66) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL19252939 0.72 MAPT (0.68) ALDH1A1MAPTPKML3MBTL1LMNA
Hydrochloric Acid SCHEMBL22619646 0.71 ALDH1A1 (0.64) ALDH1A1MAPTPKML3MBTL1LMNA
Hydrochloric Acid SCHEMBL28522525 0.71 ALDH1A1 (0.64) ALDH1A1MAPTPKML3MBTL1LMNA
SCHEMBL28801119 0.70 ALDH1A1 (0.51) ALDH1A1MAPTPKML3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 US disclosed