SCHEMBL28329635

SCHEMBL28329635

Nc1cc(N)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 7/20 0.64
JUN P05412 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
PTGS1 P23219 6/20 0.56
HDAC3 O15379 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
IKBKE Q14164 1/20 0.55
MAPT P10636 2/20 0.51
P2RX4 Q99571 1/20 0.51
P2RX7 Q99572 1/20 0.51

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
SCHEMBL2914683 0.88 P2RX1 (0.74) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL548237 0.85 PTGS1 (0.77) P2RX1PTGS1HDAC3HDAC8HDAC6
SCHEMBL28217080 0.85 PTGS1 (0.77) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL549108 0.84 MAPT (0.73) P2RX1PTGS1MAPT
SCHEMBL678064 0.82 PTGS1 (0.77) P2RX1PTGS1HDAC3HDAC8HDAC6
SCHEMBL3298253 0.82 PKM (0.52) PTGS1
SCHEMBL22387581 0.81 LMNA (0.67) P2RX1PTGS1HDAC3HDAC8HDAC6
SCHEMBL30554615 0.80 P2RX1 (0.65) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL3246188 0.80 P2RX1 (0.65) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL23447713 0.78 P2RX1 (1.00) P2RX1JUNNFKB1NFKB2RELA

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