SCHEMBL24253966

SCHEMBL24253966

COc1ccc(NC(=O)OC(C)(C)C)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
F10 P00742 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NR1I2 O75469 1/20 0.44
LPAR1 Q92633 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 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
SCHEMBL1007579 0.90 KMT2A (0.45) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL31515782 0.90 KMT2A (0.45) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL487103 0.86 MEN1 (0.43) POLBMEN1KMT2AALDH1A1RXFP1
SCHEMBL13578846 0.86 POLB (0.44) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL2157110 0.85 RAB9A (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL2589170 0.85 ALDH1A1 (0.63) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL31372038 0.85 NPC1 (0.46) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL2795277 0.85 NPC1 (0.46) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL1008033 0.84 RAB9A (0.54) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL246277 0.84 AAK1 (0.46) MEN1KMT2AALDH1A1KDM4EF10

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
WO-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 WO disclosed