SCHEMBL28821920

SCHEMBL28821920

O=C(N=[N+]=Nc1ccc(I)cc1)c1cc(Cl)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KCNMA1 Q12791 2/20 0.41
P2RX1 P51575 4/20 0.38
MGLL Q99685 3/20 0.38
TMPRSS4 Q9NRS4 4/20 0.38
P2RX4 Q99571 3/20 0.38
P2RX7 Q99572 3/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 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 0.92 CA1 (0.49) CA1CA2KCNMA1P2RX1MGLL
SCHEMBL28029364 0.86 ALDH1A1 (0.45) CA1CA2KCNMA1P2RX1MGLL
SCHEMBL28752076 0.84 TMPRSS4 (0.54) CA1CA2P2RX1MGLLTMPRSS4
SCHEMBL28029025 0.83 LMNA (0.52) CA1CA2P2RX1MGLLTMPRSS4
SCHEMBL28029023 0.83 KLKB1 (0.44) CA1CA2KCNMA1P2RX1MGLL
SCHEMBL28821963 0.80 CA1 (0.43) CA1CA2KCNMA1P2RX1MGLL
SCHEMBL28105012 0.80 TMPRSS4 (0.55) CA1CA2P2RX1TMPRSS4P2RX4
SCHEMBL28029031 0.79 AR (0.50) CA1CA2KCNMA1P2RX1ALDH1A1
SCHEMBL27619537 0.76 PARP1 (0.46) CA1CA2KCNMA1P2RX1MGLL
SCHEMBL27582539 0.76 P2RX1 (0.54) CA1CA2P2RX1TMPRSS4P2RX4

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