SCHEMBL8559511

SCHEMBL8559511

CC(C)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(OS(=O)(=O)C(C)C)cn3Cc2c(F)cccc2F)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.76
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74

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
Hydrochloric Acid SCHEMBL8165708 0.99 GNRHR (0.75) GNRHRMEN1KMT2A
SCHEMBL8152208 0.90 GNRHR (0.80) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL8158781 0.89 GNRHR (0.78) GNRHRMEN1KMT2A
SCHEMBL8166233 0.89 GNRHR (0.79) GNRHRMEN1KMT2A
SCHEMBL8165660 0.88 GNRHR (0.76) GNRHRMEN1KMT2A
SCHEMBL8152088 0.88 GNRHR (0.84) GNRHRMEN1KMT2A
SCHEMBL7526343 0.87 GNRHR (0.90) GNRHRMEN1KMT2A
SCHEMBL8153217 0.86 GNRHR (0.79) GNRHRMEN1KMT2A
SCHEMBL7006144 0.86 GNRHR (1.00) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7497376 0.86 GNRHR (0.99) GNRHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862573-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP claimed
US-5744479-A PITUITARY HORMONE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-28 US claimed
WO-1997014697-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-24 WO claimed
EP-0862573-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
US-5744479-A PITUITARY HORMONE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
WO-1997014697-A1 THIENOPYRIDINE DERIVATIVES AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-24 WO disclosed