SCHEMBL9568050

SCHEMBL9568050

O=C(CCC1CCCc2ccccc21)NNC(c1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.47
KDM5A P29375 2/20 0.47
KDM5B Q9UGL1 2/20 0.47
TAOK1 Q7L7X3 3/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
TAOK3 Q9H2K8 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 1/20 0.41
TRPV1 Q8NER1 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL9568029 0.90 TAOK1 (0.49) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9047961 0.85 TBXAS1 (0.40) KDM4CKDM5AKDM5BTAOK1TBXAS1
SCHEMBL8858499 0.83 PTGIR (0.60) KDM4CTBXAS1
SCHEMBL9567988 0.82 TAOK1 (0.47) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9568062 0.81 TAOK1 (0.47) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9567972 0.81 TAOK1 (0.48) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9567963 0.80 ALDH1A1 (0.44) KDM4CKDM5AKDM5BALDH1A1KMT2A
SCHEMBL9567997 0.78 HPGD (0.48) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9568013 0.77 TAOK1 (0.44) KDM4CKDM5AKDM5BTAOK1ALDH1A1
SCHEMBL9568077 0.76 TRPV1 (0.46) KDM4CKDM5AKDM5BTAOK1ALDH1A1

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