SCHEMBL9568012

SCHEMBL9568012

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.35
TBXAS1 P24557 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
PTGIR P43119 2/20 0.33
POLB P06746 1/20 0.32
KDM4C Q9H3R0 6/20 0.32
KDM5B Q9UGL1 3/20 0.32
KDM5A P29375 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM6B O15054 2/20 0.31
TRPV1 Q8NER1 2/20 0.31

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
SCHEMBL9048468 0.83 TBXAS1 (0.37) TAOK1TBXAS1PTGIRKDM4CKDM5B
SCHEMBL8858641 0.82 PTGIR (0.55) TBXAS1PTGIRKDM4C
SCHEMBL9568066 0.74 TBXAS1 (0.38) TBXAS1PTGIRKDM4CKDM5BKDM5A
SCHEMBL9047648 0.73 PTGIR (0.40) PTGIRALDH1A1TSHR
SCHEMBL9567972 0.72 TAOK1 (0.48) TAOK1TBXAS1TAOK3POLBKDM4C
SCHEMBL9568062 0.70 TAOK1 (0.47) TAOK1TBXAS1TAOK3POLBKDM4C
SCHEMBL9568029 0.69 TAOK1 (0.49) TAOK1TBXAS1TAOK3POLBKDM4C
SCHEMBL8858624 0.67 TBXAS1 (0.59) TBXAS1PTGIRKDM4C
SCHEMBL9568050 0.66 KDM4C (0.47) TAOK1TBXAS1TAOK3POLBKDM4C
SCHEMBL9567948 0.66 PTGIR (0.35) TBXAS1PTGIRKDM4CKDM5BKDM5A

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