SCHEMBL28330872

SCHEMBL28330872

O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.69
MAPT P10636 5/20 0.66
ALOX5 P09917 4/20 0.66
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 2/20 0.61
NPSR1 Q6W5P4 1/20 0.59
MAOB P27338 1/20 0.58
KCNK3 O14649 1/20 0.58
KIF11 P52732 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
POLB P06746 1/20 0.57
BLM P54132 1/20 0.57
P2RX1 P51575 1/20 0.57
GRIK1 P39086 1/20 0.57
TSHR P16473 1/20 0.56

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
SCHEMBL17103384 0.91 RXFP1 (0.81) RXFP1MAPTMEN1KMT2ALMNA
SCHEMBL8710692 0.90 RXFP1 (0.81) RXFP1MAPTMEN1KMT2ALMNA
SCHEMBL27179841 0.87 MAPT (0.59) RXFP1MAPTALOX5MEN1KMT2A
SCHEMBL28330876 0.86 P2RX1 (0.62) RXFP1ALOX5MEN1KMT2AP2RX1
SCHEMBL2851288 0.86 MEN1 (0.75) RXFP1MAPTMEN1KMT2ALMNA
SCHEMBL28330879 0.85 MEN1 (0.68) MAPTALOX5MEN1KMT2ATRPV1
SCHEMBL11509150 0.83 MEN1 (0.80) MAPTALOX5MEN1KMT2ALMNA
SCHEMBL14228257 0.82 MEN1 (0.56) RXFP1MAPTALOX5MEN1KMT2A
SCHEMBL15530156 0.82 RXFP1 (1.00) RXFP1
SCHEMBL16246847 0.82 GPR17 (0.69) RXFP1MAPTMEN1KMT2ALMNA

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
CN-110358086-A A kind of fluorine-containing high transparency polyimides of amide containing and preparation method thereof 株洲时代新材料科技股份有限公司 2019-10-22 CN disclosed
CN-110256278-A A kind of amide containing fluorinated diamine monomer being used to prepare high transparency polyimides and preparation method thereof, application 株洲时代新材料科技股份有限公司 2019-09-20 CN disclosed