SCHEMBL28821963

SCHEMBL28821963

O=Cc1cc(C=O)cc(N=[N+]=NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AR P10275 2/20 0.40
ERN1 O75460 1/20 0.40
MAOB P27338 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
MGLL Q99685 2/20 0.38
P2RX1 P51575 2/20 0.38
KCNMA1 Q12791 1/20 0.38
LMNA P02545 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
TMPRSS4 Q9NRS4 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
SCHEMBL28029365 0.85 CA1 (0.49) CA1CA2MAOBMAPTPKM
SCHEMBL28029364 0.80 ALDH1A1 (0.45) CA1CA2KDM4EALDH1A1KMT2A
SCHEMBL28821920 0.80 CA1 (0.44) CA1CA2MAPTALDH1A1KMT2A
SCHEMBL28105012 0.79 TMPRSS4 (0.55) CA1CA2KMT2AP2RX1P2RX4
SCHEMBL28752076 0.78 TMPRSS4 (0.54) CA1CA2KMT2AMGLLP2RX1
SCHEMBL28029023 0.77 KLKB1 (0.44) CA1CA2MAPTPKMKDM4E
SCHEMBL28029025 0.77 LMNA (0.52) CA1CA2ALDH1A1KMT2ATDP1
SCHEMBL28029031 0.75 AR (0.50) CA1CA2ARMAPTKDM4E
SCHEMBL27582539 0.75 P2RX1 (0.54) CA1CA2KMT2AP2RX1LMNA
SCHEMBL27619537 0.75 PARP1 (0.46) CA1CA2MAPTPKMKDM4E

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