SCHEMBL7569191

SCHEMBL7569191

NC(=O)Cc1ccc(C(=O)O)cc1NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
AGTR2 P50052 5/20 0.39
AGT P01019 2/20 0.36
HDAC8 Q9BY41 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
VCP P55072 1/20 0.34
AR P10275 1/20 0.34
SCD O00767 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL9709729 0.79 AGTR1 (0.44) AGTR1AGTR2AGT
SCHEMBL7567246 0.74 RXRA (0.44) AGTR1AGTR2MAP4K4
SCHEMBL9093218 0.73 AGTR1 (0.48) AGTR1AGTR2AGTALDH1A1MEN1
SCHEMBL3061585 0.73 AGTR1 (0.44) AGTR1AGTR2AGTMEN1KMT2A
SCHEMBL30316147 0.72 AGTR1 (0.51) AGTR1AGTR2AGTHDAC6MKNK2
SCHEMBL9024777 0.72 AGTR1 (0.51) AGTR1AGTR2AGTHDAC6MKNK2
SCHEMBL9591953 0.72 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL4246354 0.71 AGTR1 (0.50) AGTR1AGTR2AGTL3MBTL1POLB
SCHEMBL9709679 0.71 CD38 (0.45) AGTR1AGTR2AGTMEN1KMT2A
SCHEMBL9709873 0.71 AGTR1 (0.45) AGTR1AGTR2AGT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed