SCHEMBL9032437

SCHEMBL9032437

CCCCCCSc1nc2c(C(=O)OC)sc(C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
AGTR1 P30556 2/20 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
SCHEMBL9031715 0.97 KMT2A (0.42) KMT2AAGTR1
SCHEMBL9032697 0.95 KMT2A (0.40) KMT2AAGTR1
SCHEMBL9032173 0.94 AGTR1 (0.42) AGTR1
SCHEMBL9031501 0.92 KMT2A (0.42) KMT2AAGTR1
SCHEMBL9030954 0.91 AGTR1 (0.41) AGTR1
SCHEMBL27352793 0.90 KMT2A (0.40) KMT2AAGTR1
SCHEMBL9032254 0.89 AGTR1 (0.42) AGTR1
SCHEMBL9033049 0.88 KMT2A (0.42) KMT2AAGTR1
SCHEMBL9264895 0.88 KMT2A (0.38) KMT2AAGTR1
SCHEMBL9030128 0.87 POLB (0.38) AGTR1

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