Sugi Predict

Sugi Predict / Compounds / SCHEMBL7009439

SCHEMBL7009439

SCHEMBL7009439

CCS(=O)(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c(C(=O)c2ccccc2)cn3Cc2c(F)cccc2F)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.77
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64

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 SCHEMBL8165522 0.90 GNRHR (0.79) GNRHRMEN1KMT2A
SCHEMBL5149294 0.89 GNRHR (0.83) GNRHRMEN1KMT2A
SCHEMBL7496136 0.89 GNRHR (0.82) GNRHRMEN1KMT2A
SCHEMBL7006922 0.88 GNRHR (0.85) GNRHRMEN1KMT2A
SCHEMBL7569460 0.88 GNRHR (0.78) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7493979 0.87 GNRHR (0.77) GNRHRMEN1KMT2A
SCHEMBL7008161 0.87 GNRHR (0.81) GNRHRMEN1KMT2A
SCHEMBL7007954 0.87 GNRHR (1.00) GNRHRMEN1KMT2A
SCHEMBL7009882 0.87 GNRHR (0.75) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7494036 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 2 patents. 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
EP-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 — — EP disclosed