SCHEMBL9567948

SCHEMBL9567948

O=C(N(N=CCC1CCCc2[c]cccc21)c1ccccc1)N(c1ccccc1)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.35
TBXAS1 P24557 1/20 0.34
KDM4C Q9H3R0 8/20 0.32
KDM5B Q9UGL1 3/20 0.32
KDM5A P29375 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM6B O15054 3/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.30

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
SCHEMBL9050059 0.81 TBXAS1 (0.38) PTGIRTBXAS1KDM4CKDM5BKDM5A
SCHEMBL8858470 0.81 TBXAS1 (0.56) PTGIRTBXAS1KDM4C
SCHEMBL8858466 0.81 TBXAS1 (0.56) PTGIRTBXAS1KDM4C
SCHEMBL9568066 0.72 TBXAS1 (0.38) PTGIRTBXAS1KDM4CKDM5BKDM5A
SCHEMBL9568012 0.66 TAOK1 (0.35) PTGIRTBXAS1KDM4CKDM5BKDM5A
SCHEMBL9568154 0.62 CYP19A1 (0.31) TBXAS1
SCHEMBL9048031 0.62 MEN1 (0.39) KDM4CKDM5BKDM5ACYP3A4ALDH1A1
SCHEMBL9568061 0.61 PTGIR (0.36) PTGIR
SCHEMBL9047812 0.61 PTGIR (0.65) PTGIRTBXAS1KDM4C
SCHEMBL9047804 0.61 PTGIR (0.42) PTGIRTBXAS1KDM4CKDM5BKDM5A

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed