SCHEMBL7593495

SCHEMBL7593495

CCCOc1ccc(-c2sc3c(c2CBr)c(=O)n(CC(=O)OCC)c(=O)n3Cc2ccccc2SC)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GNRHR P30968 6/20 0.35
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
EDNRB P24530 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7591456 0.92 GNRHR (0.36) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7597266 0.92 GNRHR (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7593455 0.89 GNRHR (0.36) L3MBTL1NPSR1MAPTALDH1A1LMNA
SCHEMBL7598726 0.89 L3MBTL1 (0.37) L3MBTL1NPSR1MAPTALDH1A1LMNA
SCHEMBL7591161 0.88 ADORA2B (0.40) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7595931 0.87 GNRHR (0.36) L3MBTL1NPSR1MAPTALDH1A1LMNA
SCHEMBL7598723 0.86 GNRHR (0.36) L3MBTL1NPSR1MAPTALDH1A1LMNA
SCHEMBL7593828 0.85 GNRHR (0.42) MEN1KMT2AGNRHREDNRB
SCHEMBL7591452 0.84 GNRHR (0.43) MEN1KMT2AGNRHREDNRB
SCHEMBL7854155 0.83 ADORA2B (0.42) MAPTMEN1KMT2AGNRHRTP53

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