SCHEMBL20057565

SCHEMBL20057565

CNc1ccc(NC(=O)Nc2cccc(NC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.60
ALDH1A1 P00352 2/20 0.60
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
SIRT1 Q96EB6 1/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
TSHR P16473 2/20 0.56
DDX3X O00571 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
EPHX1 P07099 1/20 0.54
EPHX2 P34913 1/20 0.54
CDK9 P50750 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
MAPT P10636 5/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53

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
SCHEMBL16488795 0.86 MEN1 (0.51) TP53ALDH1A1SAE1UBA2KMT2A
SCHEMBL3460630 0.86 SMN1; SMN2 (0.74) TP53KMT2AMEN1SIRT1NPC1
SCHEMBL18311495 0.83 MAPT (0.62) TP53ALDH1A1SAE1UBA2KMT2A
SCHEMBL13522506 0.83 MEN1 (0.49) TP53ALDH1A1SAE1UBA2KMT2A
SCHEMBL12711075 0.82 RAB9A (0.77) TP53ALDH1A1SAE1UBA2KMT2A
SCHEMBL20057679 0.82 DDX3X (0.66) ALDH1A1KMT2AMEN1SIRT1NPC1
SCHEMBL17193484 0.81 TP53 (0.81) TP53KMT2AMEN1SIRT1NPC1
SCHEMBL17589369 0.81 KMT2A (0.66) TP53ALDH1A1KMT2AMEN1SIRT1
SCHEMBL14491938 0.81 SLC2A1 (0.68) TP53ALDH1A1KMT2AMEN1NPC1
SCHEMBL697192 0.80 GPR35 (0.55) ALDH1A1SAE1UBA2KMT2AMEN1

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-3309146-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2018-04-18 EP disclosed