SCHEMBL5511047

SCHEMBL5511047

Nc1ccc2c(F)c(N)ccc2c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL5512090 0.84 EP300 (0.43) ALDH1A1MAPTKDM4ETDP1CYP3A4
SCHEMBL5513611 0.82 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ECRHBPCRHR2
SCHEMBL5517364 0.81 ALDH1A1 (0.38) ALDH1A1MAPTTDP1CYP3A4TSHR
SCHEMBL5522910 0.79 PRKCI (0.35) IDO1
SCHEMBL30711809 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5513548 0.75 PLAU (0.44) ALDH1A1MAPTKDM4ETDP1CYP3A4
SCHEMBL31616777 0.74 GABRA1 (0.38) ALDH1A1MAPTKDM4ETDP1CYP3A4
SCHEMBL31616591 0.74 FABP7 (0.33) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL13070003 0.73 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ECRHBPCRHR2
SCHEMBL31404828 0.73 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ETDP1CYP3A4

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