SCHEMBL28029035

SCHEMBL28029035

CC(C)c1cccc(N=[N+]=NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
P2RX1 P51575 3/20 0.37
P2RX4 Q99571 2/20 0.37
P2RX7 Q99572 2/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TYR P14679 1/20 0.37
ALOX12 P18054 1/20 0.37
CA5A P35218 1/20 0.37
HDAC4 P56524 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL27619537 0.80 PARP1 (0.46) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL27582539 0.80 P2RX1 (0.54) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL28029365 0.80 CA1 (0.49) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL28029031 0.75 AR (0.50) CA1CA2P2RX1MAPTKDM4E
SCHEMBL28821920 0.75 CA1 (0.44) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL28029364 0.75 ALDH1A1 (0.45) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL28029023 0.75 KLKB1 (0.44) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL28029025 0.75 LMNA (0.52) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL28821963 0.74 CA1 (0.43) CA1CA2P2RX1P2RX4P2RX7
SCHEMBL28105012 0.74 TMPRSS4 (0.55) CA1CA2P2RX1P2RX4P2RX7

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