SCHEMBL31067263

SCHEMBL31067263

O=[N+]([O-])c1ccc2nccc(F)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP3A4 P08684 1/20 0.46
NAMPT P43490 1/20 0.46
XDH P47989 1/20 0.46
EGFR P00533 2/20 0.46
KDR P35968 1/20 0.46
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALK Q9UM73 1/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
GABRA1 P14867 1/20 0.43

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
SCHEMBL30918557 0.87 ALDH1A1 (0.47) PARP1L3MBTL1CCNCCDK8ALDH1A1
SCHEMBL6202198 0.80 NR4A2 (0.53) PARP1L3MBTL1CCNCCDK8ALDH1A1
SCHEMBL537862 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8ALDH1A1
SCHEMBL22492337 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8CYP3A4
SCHEMBL537824 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8ALDH1A1
SCHEMBL16289937 0.80 PARP1 (0.53) PARP1L3MBTL1CCNCCDK8CYP3A4
SCHEMBL4642829 0.80 L3MBTL1 (0.54) PARP1L3MBTL1CCNCCDK8ALDH1A1
SCHEMBL30349874 0.80 L3MBTL1 (0.54) PARP1L3MBTL1CCNCCDK8ALDH1A1
SCHEMBL24363301 0.80 PARP1 (0.49) PARP1L3MBTL1CCNCCDK8ALDH1A1
SCHEMBL15910663 0.78 ALDH1A1 (0.60) PARP1L3MBTL1CCNCCDK8ALDH1A1

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-118496154-A Quinoline group-containing triptycene diamine monomer, polymer and preparation method 吉林大学 2024-08-16 CN disclosed