SCHEMBL28029023

SCHEMBL28029023

NCc1ccc(N=[N+]=NC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PIK3CA P42336 2/20 0.39
SLC9A1 P19634 1/20 0.38
P2RX1 P51575 4/20 0.37
TMPRSS4 Q9NRS4 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
P2RX4 Q99571 2/20 0.36
P2RX7 Q99572 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL28029365 0.88 CA1 (0.49) CA1CA2P2RX1TMPRSS4MAPT
SCHEMBL28029364 0.83 ALDH1A1 (0.45) CA1CA2P2RX1TMPRSS4MEN1
SCHEMBL28821920 0.83 CA1 (0.44) CA1CA2P2RX1TMPRSS4MAPT
SCHEMBL28752076 0.81 TMPRSS4 (0.54) CA1CA2P2RX1TMPRSS4MEN1
SCHEMBL28029025 0.80 LMNA (0.52) CA1CA2P2RX1TMPRSS4MEN1
SCHEMBL27619537 0.78 PARP1 (0.46) CA1CA2P2RX1TMPRSS4MAPT
SCHEMBL28821963 0.77 CA1 (0.43) CA1CA2P2RX1TMPRSS4MAPT
SCHEMBL28105012 0.77 TMPRSS4 (0.55) CA1CA2P2RX1TMPRSS4MEN1
SCHEMBL27582539 0.76 P2RX1 (0.54) CA1CA2P2RX1TMPRSS4MEN1
SCHEMBL28029031 0.76 AR (0.50) CA1CA2SLC9A1P2RX1MAPT

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-104771386-A Benzamide compound and applications thereof GUANGZHOU INST BIOMED & HEALTH 2015-07-15 CN claimed
CN-104771386-A Benzamide compound and applications thereof GUANGZHOU INST BIOMED & HEALTH 2015-07-15 CN disclosed