SCHEMBL5511698

SCHEMBL5511698

Nc1c(F)c(F)c(F)c2c(N)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KEAP1 Q14145 2/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NR4A2 P43354 1/20 0.35
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
CD44 P16070 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HKDC1 Q2TB90 1/20 0.32
PIK3CA P42336 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
SCHEMBL5513559 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5518859 0.75 ALDH1A1 (0.37) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5516172 0.72 CYP3A4 (0.42) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL5510149 0.72 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29788293 0.70 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL30565110 0.70 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL16623896 0.70 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL3672181 0.69 CYP3A4 (0.43) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL21554126 0.68 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29463743 0.68 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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