SCHEMBL28148904

SCHEMBL28148904

NC(=O)c1ccc(-c2cc(N)ccc2N)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PDK2 Q15119 3/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AR P10275 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36

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
Terephthalamide SCHEMBL8743142 0.86 GAA (0.69) GAAPOLBGLATSHRPDK2
SCHEMBL28255138 0.81 GLA (0.57) GAAPOLBGLATSHRPDK2
SCHEMBL6815102 0.81 AR (0.42) TSHRPDK2ARKDM4EALDH1A1
SCHEMBL11060930 0.78 GLA (0.67) GAAPOLBGLATSHRPDK2
SCHEMBL11337669 0.74 AR (0.43) TSHRPDK2AKR1C3AKR1C2AR
SCHEMBL403135 0.74 AKR1C3 (0.55) PDK2AKR1C3AKR1C2MAOBERN1
SCHEMBL5131379 0.73 PDK2 (0.49) PDK2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL30018505 0.73 GLA (0.54) GAAPOLBGLATSHRPDK2
SCHEMBL2709797 0.73 AR (0.45) TSHRPDK2ARMAOBERN1
SCHEMBL109685 0.73 TSHR (1.00) GAAPOLBGLATSHRPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674520-A Preparation and application for hyperbranched polyimide containing unequal activity triamine monomer 吉林大学 2017-05-17 — — CN claimed
CN-106674520-B The preparation and application of super-branched polyimide containing non-isoreactivity Triamine monomer 吉林大学 2019-03-26 — — CN disclosed
CN-106674520-A Preparation and application for hyperbranched polyimide containing unequal activity triamine monomer 吉林大学 2017-05-17 — — CN disclosed
Send feedback