SCHEMBL29065993

SCHEMBL29065993

O=[N+]([O-])c1cc(-c2ccc(F)cc2)c(C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.43
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.42
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
ATM Q13315 1/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP19A1 P11511 1/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.36
AKR1C3 P42330 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
SCHEMBL29065983 0.87 TDP1 (0.49) ALDH1A1HIF1ATDP1CYP19A1MEN1
SCHEMBL9761462 0.80 CYP19A1 (0.52) ALDH1A1HIF1ATDP1CYP19A1MEN1
SCHEMBL11644843 0.73 ALDH1A1 (0.44) ALDH1A1HIF1ATDP1CYP19A1ABCC8
SCHEMBL6201706 0.72 HSPB1 (0.46) HSPB1PTGS1ALDH1A1HIF1ATDP1
SCHEMBL11595754 0.71 GPR35 (0.56) ALDH1A1HIF1ATDP1CYP19A1MEN1
SCHEMBL28532846 0.71 AKR1C3 (0.44) PTGS1ALDH1A1HIF1AABCC8KCNJ11
SCHEMBL29186458 0.71 GCGR (0.42) HSPB1PTGS1ALDH1A1GCGRMAPK14
SCHEMBL29820749 0.71 AKR1C3 (0.44) PTGS1ALDH1A1HIF1AABCC8KCNJ11
SCHEMBL29563324 0.71 TDP1 (0.55) HSPB1PTGS1ALDH1A1HIF1ATDP1
SCHEMBL15379986 0.71 TDP1 (0.55) HSPB1PTGS1ALDH1A1HIF1ATDP1

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
CN-116715848-A Colorless polyimide film with high heat resistance and low birefringence, and preparation and application thereof 华南理工大学 2023-09-08 CN disclosed