SCHEMBL7841825

SCHEMBL7841825

CCOC(=O)Cn1c(=O)c2c(C)c(-c3ccc(OC)cc3)sc2n(Cc2ccc(OC)cc2OC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.51
AGTR1 P30556 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM6 O15303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7857100 0.87 GNRHR (0.55) GNRHRALDH1A1MAPTTP53POLB
SCHEMBL7851652 0.86 GNRHR (0.51) GNRHRTP53POLBGRM6MEN1
SCHEMBL7852099 0.85 GNRHR (0.52) GNRHRALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7850471 0.85 GNRHR (0.48) GNRHRALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7597400 0.85 GNRHR (0.48) GNRHRALDH1A1TP53POLBMEN1
SCHEMBL7854243 0.84 GNRHR (0.47) GNRHRALDH1A1TP53POLBMEN1
SCHEMBL7850711 0.81 GNRHR (0.50) GNRHRAGTR1
SCHEMBL7595052 0.80 GNRHR (0.54) GNRHRMEN1KMT2A
SCHEMBL7594585 0.77 GNRHR (0.41) GNRHRALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL7593828 0.76 GNRHR (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640606-B1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 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
EP-0640606-A1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 EP disclosed