SCHEMBL9200319

SCHEMBL9200319

CCc1nc2c(C)c(C(=O)OC)sc2n1Cc1ccc(OCc2c(C(=O)O)ccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FABP4 P15090 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL9206193 0.84 AGTR1 (0.33) AGTR1AGTR2HPGD
SCHEMBL9199463 0.83 PLA2G2A (0.36) AGTR1AGTR2
SCHEMBL9196516 0.82 MRGPRX4 (0.38) AGTR1AGTR2FABP4
SCHEMBL9203204 0.81 PLA2G2A (0.35) AGTR1AGTR2
SCHEMBL9199466 0.78 NR4A2 (0.41)
SCHEMBL9196521 0.78 HDAC8 (0.39) AGTR1AGTR2TDP1
SCHEMBL9207021 0.72 MAPT (0.32) AGTR1AGTR2
SCHEMBL9197935 0.71 CPB1 (0.31) AGTR1AGTR2
SCHEMBL9197943 0.69 AGTR1 (0.33) TP53AGTR1AGTR2ALDH1A1NPSR1
SCHEMBL9287158 0.69 TLR7 (0.39) AGTR1AGTR2

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
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed