SCHEMBL28330876

SCHEMBL28330876

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 8/20 0.62
TMPRSS4 Q9NRS4 1/20 0.62
ALOX5 P09917 5/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
P2RX4 Q99571 1/20 0.56
P2RX7 Q99572 1/20 0.56
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL28330879 0.87 MEN1 (0.68) ALOX5MEN1KMT2A
SCHEMBL28217527 0.87 P2RX1 (0.68) P2RX1TMPRSS4MEN1KMT2AP2RX4
SCHEMBL28330872 0.86 RXFP1 (0.69) P2RX1ALOX5MEN1KMT2ARXFP1
SCHEMBL9167111 0.84 ALOX5 (0.75) P2RX1ALOX5MEN1KMT2A
SCHEMBL31151527 0.84 MEN1 (0.68) P2RX1TMPRSS4MEN1KMT2AP2RX4
SCHEMBL31151456 0.83 KMT2A (0.70) P2RX1TMPRSS4MEN1KMT2ARXFP1
SCHEMBL2914683 0.82 P2RX1 (0.74) P2RX1TMPRSS4P2RX4P2RX7JUN
SCHEMBL11010708 0.82 P2RX1 (0.58) P2RX1TMPRSS4MEN1KMT2AP2RX4
SCHEMBL12475189 0.79 P2RX1 (0.58) P2RX1TMPRSS4MEN1KMT2AP2RX4
SCHEMBL12475193 0.79 P2RX1 (0.58) P2RX1TMPRSS4MEN1KMT2AP2RX4

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