SCHEMBL28029031

SCHEMBL28029031

COc1ccc(N=[N+]=NC(=O)c2cc(Cl)ccc2O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
KCNMA1 Q12791 4/20 0.46
MAPT P10636 3/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX1 P51575 1/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SLC9A1 P19634 3/20 0.39
CXCL12 P48061 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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 0.83 CA1 (0.49) KCNMA1MAPTKMT2ANPC1P2RX1
SCHEMBL28029364 0.79 ALDH1A1 (0.45) KCNMA1KMT2AP2RX1LMNACA1
SCHEMBL28821920 0.79 CA1 (0.44) KCNMA1MAPTKMT2ANPC1P2RX1
SCHEMBL28029025 0.78 LMNA (0.52) KMT2AP2RX1LMNACA1CA2
SCHEMBL28749894 0.78 ACLY (0.44) ARKCNMA1KMT2AL3MBTL1SLC9A1
SCHEMBL28752076 0.77 TMPRSS4 (0.54) KMT2AP2RX1CA1CA2
SCHEMBL27619537 0.76 PARP1 (0.46) KCNMA1MAPTKMT2ANPC1P2RX1
SCHEMBL27599969 0.76 TMPRSS4 (0.46) KMT2AP2RX1CA1CA2
SCHEMBL28029023 0.76 KLKB1 (0.44) KCNMA1MAPTKMT2ANPC1P2RX1
SCHEMBL28029035 0.75 CA1 (0.38) MAPTKMT2ANPC1P2RX1LMNA

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