SCHEMBL7597266

SCHEMBL7597266

CCOC(=O)Cn1c(=O)c2c(CBr)c(-c3ccc(OC)cc3)sc2n(Cc2ccccc2SC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 16/20 0.42
EDNRB P24530 1/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7593828 0.93 GNRHR (0.42) GNRHREDNRBMEN1KMT2A
SCHEMBL7591456 0.93 GNRHR (0.36) GNRHREDNRBALDH1A1LMNASMN1; SMN2
SCHEMBL7593495 0.92 L3MBTL1 (0.38) GNRHREDNRBALDH1A1LMNASMN1; SMN2
SCHEMBL7591452 0.92 GNRHR (0.43) GNRHREDNRBMEN1KMT2A
SCHEMBL7597400 0.91 GNRHR (0.48) GNRHREDNRBALDH1A1MEN1KMT2A
SCHEMBL7592834 0.90 GNRHR (0.41) GNRHREDNRBMEN1KMT2A
SCHEMBL7591161 0.90 ADORA2B (0.40) GNRHRALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8230062 0.89 GNRHR (0.40) GNRHREDNRBMEN1KMT2A
SCHEMBL7596779 0.88 GNRHR (0.43) GNRHREDNRBMEN1KMT2A
SCHEMBL7841358 0.84 GNRHR (0.46) GNRHRALDH1A1LMNASMN1; SMN2MEN1

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