SCHEMBL7595052

SCHEMBL7595052

CCOC(=O)Cn1c(=O)c2c(C)c(-c3ccc(OC)cc3)sc2n(Cc2c(F)cccc2Cl)c1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 14/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ACHE P22303 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL7596246 0.92 MEN1 (0.49) GNRHRMEN1KMT2AATM
SCHEMBL7595933 0.92 GNRHR (0.54) GNRHRMEN1KMT2AATMACHE
SCHEMBL7598730 0.90 GNRHR (0.45) GNRHRMEN1KMT2AATM
SCHEMBL7597437 0.88 GNRHR (0.50) GNRHRMEN1KMT2AATMACHE
SCHEMBL7593502 0.82 GNRHR (0.45) GNRHRMEN1KMT2AATM
SCHEMBL8649469 0.81 GNRHR (0.48) GNRHR
SCHEMBL7851652 0.80 GNRHR (0.51) GNRHRMEN1KMT2A
SCHEMBL7841825 0.80 GNRHR (0.51) GNRHRMEN1KMT2A
SCHEMBL7850471 0.79 GNRHR (0.48) GNRHRMEN1KMT2A
SCHEMBL7597400 0.79 GNRHR (0.48) 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-0846119-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed