SCHEMBL7007883

SCHEMBL7007883

CCCc1nc2c(C(=O)OCC)cnn2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 1/20 0.41
CSNK1D P48730 1/20 0.41
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL7007876 0.71 ALDH1A1 (0.46) KDM4ERAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL7007879 0.68 KDM4E (0.50) KDM4EHSP90AA1ALDH1A1LMNAMEN1
SCHEMBL13749494 0.67 KDM4E (0.57) KDM4ERAB9ANPC1ALDH1A1HSD17B10
SCHEMBL1006040 0.66 KDM4E (0.68) KDM4ERAB9ANPC1ALDH1A1HSD17B10
SCHEMBL19680294 0.66 KDM4E (0.57) KDM4ERAB9ANPC1ALDH1A1HSD17B10
SCHEMBL17781294 0.66 KDM4E (0.49) KDM4ERAB9ANPC1ALDH1A1HSD17B10
SCHEMBL10204204 0.66 PDE2A (0.53) KDM4ERAB9ANPC1ALDH1A1HSD17B10
SCHEMBL7101654 0.66 ALDH1A1 (0.46) KDM4ERAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL5809049 0.65 ALDH1A1 (0.47) KDM4EHSP90AA1ALDH1A1HPGDSMN1; SMN2
SCHEMBL20697060 0.65 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed