SCHEMBL7016456

SCHEMBL7016456

CC(C)NC(=O)Oc1cn(Cc2c(F)cccc2F)c2sc(-c3ccc([N+](=O)[O-])cc3)c(CN(C)Cc3ccccc3)c2c1=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.63
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL8152152 0.88 GNRHR (0.63) GNRHRMEN1KMT2A
SCHEMBL7016012 0.88 GNRHR (0.65) GNRHR
SCHEMBL7101852 0.87 GNRHR (0.82) GNRHRMEN1KMT2A
SCHEMBL7016463 0.87 GNRHR (0.75) GNRHRMEN1KMT2A
SCHEMBL7005782 0.85 GNRHR (0.77) GNRHRMEN1KMT2A
SCHEMBL7011418 0.85 GNRHR (0.73) GNRHRMEN1KMT2A
SCHEMBL7009417 0.84 GNRHR (0.59) GNRHR
SCHEMBL7102447 0.83 GNRHR (0.69) GNRHRMEN1KMT2A
SCHEMBL7096599 0.83 GNRHR (0.75) GNRHRMEN1KMT2A
SCHEMBL7014204 0.83 GNRHR (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 EP claimed