SCHEMBL7007417

SCHEMBL7007417

COC(=O)c1ccc(-n2cccc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.51
PKM P14618 2/20 0.51
FGFR1 P11362 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
FBP1 P09467 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL27571544 0.83 CA1 (0.52) TDP1ALDH1A1PKMFGFR1KDM4E
SCHEMBL7830816 0.83 ALDH1A1 (0.54) ALDH1A1HPGDTSHRMAPTLMNA
SCHEMBL27523948 0.82 FGFR1 (0.50) TDP1ALDH1A1PKMFGFR1KDM4E
SCHEMBL6377479 0.80 FGFR1 (0.55) TDP1ALDH1A1PKMFGFR1KDM4E
SCHEMBL7009206 0.80 ALDH1A1 (0.63) TDP1ALDH1A1FGFR1HTTTSHR
SCHEMBL2240089 0.75 HTT (0.63) TDP1ALDH1A1PKMFGFR1KDM4E
SCHEMBL15714711 0.75 ALDH1A1 (0.69) TDP1ALDH1A1PKMKDM4EHPGD
SCHEMBL327622 0.74 PDE4A (0.54) TDP1ALDH1A1PKMFGFR1KDM4E
SCHEMBL16204335 0.73 RECQL (0.57) TDP1ALDH1A1KDM4EHPGDNPSR1
Benzene SCHEMBL28351738 0.73 TSHR (0.85) TDP1ALDH1A1HPGDTSHRCA1

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