SCHEMBL29655222

SCHEMBL29655222

Nc1cccc(F)c1-c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.45
PTPRC P08575 1/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
PDE7A Q13946 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 5/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR35 Q9HC97 1/20 0.38
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL11901648 0.83 S100A4 (0.50) S100A4PTPRCMAPTKMT2APDE7A
SCHEMBL31713028 0.81 S100A4 (0.45) S100A4PTPRCMAPTKMT2APDE7A
SCHEMBL26164138 0.81 PDE7A (0.46) S100A4PTPRCMAPTKMT2APDE7A
SCHEMBL29565972 0.81 PDE7A (0.46) S100A4PTPRCMAPTKMT2APDE7A
SCHEMBL214194 0.79 TDP1 (0.50) S100A4MAPTKMT2APDE7ASMN1; SMN2
SCHEMBL12479506 0.78 TDP1 (0.48) S100A4PTPRCMAPTKMT2ARECQL
SCHEMBL26164167 0.76 HSD17B10 (0.46) S100A4PTPRCMAPTKMT2APDE7A
SCHEMBL307855 0.75 TDP1 (0.54) S100A4PTPRCMAPTKMT2ASMN1; SMN2
SCHEMBL29355089 0.75 TDP1 (0.54) S100A4PTPRCMAPTKMT2ASMN1; SMN2
SCHEMBL15380368 0.75 S100A4 (0.56) S100A4PTPRCMAPTKMT2ASMN1; SMN2

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-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN disclosed