SCHEMBL9030815

SCHEMBL9030815

CCCSc1nc2c(C)sc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
AGTR2 P50052 1/20 0.38
TSHR P16473 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
SCHEMBL9032028 0.95 KMT2A (0.45) AGTR1KMT2AAGTR2
SCHEMBL9033049 0.94 KMT2A (0.42) AGTR1KMT2A
SCHEMBL9032837 0.94 AGTR1 (0.43) AGTR1KMT2AMEN1AGTR2TSHR
SCHEMBL9030640 0.94 AGTR1 (0.42) AGTR1
SCHEMBL9032380 0.93 AGTR1 (0.42) AGTR1
SCHEMBL9032254 0.92 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9033155 0.90 AGTR1 (0.41) AGTR1
SCHEMBL9032491 0.89 POLB (0.41) AGTR1
SCHEMBL9032218 0.88 CXCL8 (0.40) AGTR1
SCHEMBL9031501 0.88 KMT2A (0.42) AGTR1KMT2AAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483683-B1 Thienoimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-02-28 EP disclosed
US-5463073-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-31 US disclosed
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed