SCHEMBL28895007

SCHEMBL28895007

CNC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MAPK1 P28482 1/20 0.53
CRBN Q96SW2 1/20 0.52
WDR5 P61964 1/20 0.50
KMT2A Q03164 5/20 0.49
MAPT P10636 2/20 0.49
ALOX5 P09917 1/20 0.49
MEN1 O00255 4/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC2 Q92769 1/20 0.48
PABPC1 P11940 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
EIF4H Q15056 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
BLM P54132 1/20 0.48
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47

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
SCHEMBL18837900 0.84 MAPT (0.58) POLBMAPK1KMT2AMAPTMEN1
SCHEMBL10355 0.83 KMT2A (0.69) POLBKMT2AMAPTMEN1BLM
SCHEMBL9056834 0.82 CRBN (0.61) POLBCRBNMAPTHDAC8HDAC6
SCHEMBL2031327 0.82 CA12 (0.62) POLBMAPK1KMT2AMAPTMEN1
SCHEMBL13702375 0.82 HDAC8 (0.68) CRBNHDAC8HDAC6HDAC2CDK8
SCHEMBL629211 0.81 TP53 (0.67) POLBMAPK1KMT2AMAPTMEN1
SCHEMBL8686215 0.81 TP53 (0.67) POLBMAPK1KMT2AMAPTMEN1
SCHEMBL723332 0.81 HDAC8 (0.70) POLBCRBNMAPTHDAC8HDAC6
SCHEMBL3725488 0.80 TSHR (0.68) POLBMAPK1HDAC2
SCHEMBL1302830 0.80 ALDH1A1 (0.68) POLBMAPK1ALOX5HDAC2ALDH1A1

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-117447395-A Method for preparing sorafenib key intermediate by utilizing micro-channel continuous flow 山东安弘制药有限公司 2024-01-26 CN disclosed
CN-108409648-B Preparation method of sorafenib tosylate related intermediate 盐城师范学院 2020-06-09 CN disclosed