SCHEMBL5515670

SCHEMBL5515670

Nc1ccc2c(F)c(N)cc(F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
PARP1 P09874 1/20 0.33
CASP1 P29466 1/20 0.33
KIF11 P52732 2/20 0.33
MAPT P10636 4/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
GFER P55789 1/20 0.32
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PLAU P00749 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TSHR P16473 2/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL5508400 0.79 ESR1 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL5514136 0.75 SLC18A1 (0.34)
SCHEMBL5518507 0.71 PLAU (0.36) ALDH1A1PARP1CASP1KIF11MAPT
SCHEMBL5514092 0.71 ALDH1A1 (0.44) ALDH1A1CASP1MAPTGFERKDM4E
SCHEMBL5511047 0.70 ALDH1A1 (0.39) ALDH1A1CASP1MAPTSMN1; SMN2HPGD
SCHEMBL5510016 0.70 MEN1 (0.41) ALDH1A1CASP1MAPTRAB9ASMN1; SMN2
SCHEMBL5513548 0.70 PLAU (0.44) ALDH1A1CASP1MAPTKDM4EMEN1
SCHEMBL33738 0.66
SCHEMBL29487496 0.66
SCHEMBL7752264 0.66 ALDH1A1 (0.43) ALDH1A1PARP1CASP1MAPTRAB9A

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed