SCHEMBL23748549

SCHEMBL23748549

F[B-](F)(F)F.N#[N+]c1ccc(C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.42
PARP15 Q460N3 4/20 0.42
PARP4 Q9UKK3 2/20 0.42
KMT2A Q03164 2/20 0.42
PARP14 Q460N5 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP1 P09874 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6260247 0.92 PARP10 (0.48) PARP10PARP15PARP4KMT2APARP14
Hydrochloric Acid SCHEMBL5400350 0.90 PARP10 (0.46) PARP10PARP15PARP4KMT2APARP14
Hydrochloric Acid SCHEMBL10981830 0.90 PARP10 (0.46) PARP10PARP15PARP4KMT2APARP14
SCHEMBL240289 0.82 TSHR (0.50) ALDH1A1TSHRCA2CA1CA12
SCHEMBL11479272 0.80 MAPT (0.45) KMT2AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL5370217 0.78
SCHEMBL5380526 0.78
SCHEMBL239500 0.77 ALDH1A1 (0.52) KMT2AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL1165124 0.76 CA1 (0.50) KMT2AALDH1A1TSHRMAPTPOLB
SCHEMBL28391478 0.73 CA1 (0.56) KMT2AALDH1A1TSHRMAPTCYP3A4

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
EP-3864191-A1 METHOD FOR TREATING A SPECIFIC METAL PART TO ENHANCE THE CORROSION RESISTANCE THEREOF AND THE ADHESION PROPERTIES THEREOF WITH RESPECT TO A COATING COMPOSITION SUCH AS A PAINT Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-08-18 EP disclosed