SCHEMBL7014604

SCHEMBL7014604

COC(=O)c1cccc2cc(C)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR4A2 P43354 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42

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
SCHEMBL2078975 0.81 DHODH (0.58) KDM4EMAPTMEN1KMT2ATDP1
SCHEMBL6517016 0.81 HPGD (0.53) KDM4EMAPTMEN1KMT2ASLC6A2
SCHEMBL7414885 0.80 MTNR1A (0.46) KDM4EMAPTL3MBTL1KMT2ANR4A2
SCHEMBL19857562 0.80 PDPK1 (0.53) KDM4EALDH1A1HSD17B10DHODH
SCHEMBL29696398 0.80 PDPK1 (0.53) KDM4EALDH1A1HSD17B10DHODH
SCHEMBL25932265 0.80 DHODH (0.57) MAPTKMT2ATDP1SLC6A2SLC6A4
SCHEMBL7877965 0.80 KDM4E (0.56) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL5414816 0.79 ALDH1A1 (0.44) KDM4EMAPTRXFP1NR4A2SLC6A2
SCHEMBL7422427 0.79 ALDH1A1 (0.52) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL7416024 0.78 MTNR1A (0.50) KDM4EMAPTL3MBTL1MEN1KMT2A

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-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